   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -2.941653    3.480677    3.562162    24     2
     2  N     -3.420913    2.473776    3.678561    24     1
     3  N     -7.199765    6.175186   -1.850124    24     4
     4  N     -6.900478    5.593294   -2.760574    24     3
     5  N     -2.808120    7.861124    5.263719    24     6
     6  N     -2.711774    8.828851    5.821671    24     5
     7  N      9.329291   -7.102460    0.246477    24     8
     8  N      8.520644   -7.095968   -0.530142    24     7
     9  N      3.806153    1.725703   -7.329342    24    10
    10  N      2.804265    1.223648   -7.293975    24     9
    11  N     -4.699225    4.665259    6.266526    24    12
    12  N     -4.977626    5.750986    6.294399    24    11
    13  N      2.650992   -4.781679   -5.787293    24    14
    14  N      3.374430   -5.583490   -5.485921    24    13
    15  N     -4.334095    4.358144   -8.661096    24    16
    16  N     -3.790948    4.437425   -7.683448    24    15
    17  N     -6.162811    8.929183   -2.955248    24    18
    18  N     -5.129699    9.183993   -2.601918    24    17
    19  N      6.180691    6.273367    7.986811    24    20
    20  N      5.578778    5.331730    7.896759    24    19
    21  N     -0.402157    6.353323   -5.971332    24    22
    22  N      0.235658    7.275297   -5.955659    24    21
    23  N     -5.536653    1.348470   -3.624532    24    24
    24  N     -5.971512    0.407545   -4.051906    24    23
    25  N      1.210976    0.834159   -1.015606    24    26
    26  N      0.459550    1.106773   -0.229394    24    25
    27  N     -1.681523    0.945618   -2.522460    24    28
    28  N     -2.396983    0.082373   -2.525922    24    27
    29  N      3.252583    0.244563    1.728733    24    30
    30  N      2.913472    0.280821    2.796805    24    29
    31  N      8.356745    4.087764   -3.373708    24    32
    32  N      7.493613    3.524892   -2.931818    24    31
    33  N      2.857780   -3.323767    3.409468    24    34
    34  N      1.779032   -3.626690    3.369083    24    33
    35  N      9.301426    0.447531    1.873618    24    36
    36  N      8.218020    0.223485    2.055619    24    35
    37  N     -7.328486    7.761713    1.234452    24    38
    38  N     -6.784696    8.731545    1.378701    24    37
    39  N     -5.592100   -6.567572   -6.906967    24    40
    40  N     -5.937206   -7.619940   -6.732280    24    39
    41  N     -5.747299   -6.090910   -0.342695    24    42
    42  N     -4.924424   -6.831909   -0.518442    24    41
    43  N      5.470508   -6.625355   -7.709542    24    44
    44  N      5.474666   -5.603390   -8.170693    24    43
    45  N     -6.146019   -4.211423   -8.788329    24    46
    46  N     -5.697212   -3.188289   -8.694212    24    45
    47  N      8.594186    8.355622   -3.944339    24    48
    48  N      8.199738    7.802580   -3.052350    24    47
    49  N      8.039063   -2.759187   -8.830631    24    50
    50  N      8.821123   -3.042259   -8.078739    24    49
    51  N     -2.082446   -5.338456   -4.411252    24    52
    52  N     -3.026280   -5.691993   -3.920051    24    51
    53  N     -8.046843   -6.425553   -3.975079    24    54
    54  N     -7.697837   -6.356399   -2.911829    24    53
    55  N      2.110523    3.019965    7.596971    24    56
    56  N      2.736851    3.047450    6.667430    24    55
    57  N     -8.698482    2.612045    8.425539    24    58
    58  N     -8.781361    3.177489    7.460919    24    57
    59  N      0.176339    3.347242   -3.423634    24    60
    60  N      1.076539    2.689148   -3.540429    24    59
    61  N      1.440052   -6.048117   -2.088935    24    62
    62  N      1.613645   -5.353087   -1.226444    24    61
    63  N      7.556950    5.463349    0.627436    24    64
    64  N      8.114763    4.657838    0.082381    24    63
    65  N     -5.852763   -0.330231    3.607249    24    66
    66  N     -4.896035   -0.914833    3.605895    24    65
    67  N     -3.270737    7.232065   -1.153102    24    68
    68  N     -2.675050    7.877919   -0.456597    24    67
    69  N      6.944314    4.678306    5.017334    24    70
    70  N      6.985499    4.776307    3.901184    24    69
    71  N     -2.805387   -2.386895   -5.864075    24    72
    72  N     -1.765166   -1.968601   -5.871804    24    71
    73  N      4.118975   -1.670565   -7.557103    24    74
    74  N      4.436044   -2.726169   -7.351538    24    73
    75  N     -8.564164   -6.513738    3.557121    24    76
    76  N     -7.894746   -7.412584    3.524797    24    75
    77  N      1.224895   -1.258178   -3.932217    24    78
    78  N      1.567338   -0.843799   -4.916144    24    77
    79  N      5.122463   -6.694627    5.931840    24    80
    80  N      4.194400   -6.186594    6.302906    24    79
    81  N     -1.948689   -4.622342    4.136281    24    82
    82  N     -1.757888   -4.328518    3.071221    24    81
    83  N      2.964865    4.984302   -7.910773    24    84
    84  N      3.110477    6.049618   -8.228559    24    83
    85  N      1.206747    6.208046    5.473797    24    86
    86  N      0.452551    5.395403    5.306800    24    85
    87  N     -8.847265    1.029815   -2.434825    24    88
    88  N     -8.501116    0.917814   -1.374293    24    87
    89  N     -5.108959    1.141636    0.800186    24    90
    90  N     -4.989457    0.748707   -0.243086    24    89
    91  N      7.954275   -3.274442   -1.445412    24    92
    92  N      8.178620   -2.194818   -1.648317    24    91
    93  N     -0.909285    7.059655    2.608713    24    94
    94  N     -1.407986    6.073122    2.421261    24    93
    95  N     -2.626491   -8.886176   -6.015929    24    96
    96  N     -2.728721   -9.302093   -7.052101    24    95
    97  N      6.539601    0.192538    9.379912    24    98
    98  N      6.559647    0.264701    8.261216    24    97
    99  N     -1.129633   -0.698513    5.513770    24   100
   100  N     -0.812567   -1.130728    6.498528    24    99
   101  N     -3.328907    4.080875   -4.559358    24   102
   102  N     -2.974483    4.510169   -3.586126    24   101
   103  N     -7.105117   -7.139122    8.041538    24   104
   104  N     -7.126924   -7.017668    6.927149    24   103
   105  N      3.625220    5.658742   -4.516736    24   106
   106  N      3.096564    5.304967   -3.593451    24   105
   107  N      5.850100   -2.144106    2.432005    24   108
   108  N      6.665517   -2.613567    1.822258    24   107
   109  N      1.685301    9.509488    1.960093    24   110
   110  N      1.867613    8.409738    2.080087    24   109
   111  N      8.448124   -4.477872    6.614045    24   112
   112  N      8.060260   -5.276636    7.298607    24   111
   113  N     -5.660166    4.555500    0.822779    24   114
   114  N     -5.212051    5.102027    1.693176    24   113
   115  N     -0.793426    2.729559   -6.387217    24   116
   116  N     -1.236185    2.484856   -7.387803    24   115
   117  N      3.686464    8.297419    6.330640    24   118
   118  N      3.171630    8.570974    7.288347    24   117
   119  N      8.425501   -9.070391    6.210074    24   120
   120  N      7.312268   -9.060926    6.343162    24   119
   121  N     -5.182088   -2.365606   -2.539332    24   122
   122  N     -4.934742   -3.265904   -1.918548    24   121
   123  N     -6.969976    2.925633    3.717713    24   124
   124  N     -8.088558    2.997168    3.690346    24   123
   125  N     -7.380051    0.362529   -7.588614    24   126
   126  N     -7.114448    0.262659   -8.673313    24   125
   127  N      1.448847   -8.638804   -4.190156    24   128
   128  N      0.408574   -8.241094   -4.319575    24   127
   129  N     -0.191916   -7.355682    5.549786    24   130
   130  N      0.547621   -7.802621    6.264222    24   129
   131  N     -8.299358    6.655612    8.174160    24   132
   132  N     -8.994416    6.372662    9.007181    24   131
   133  N      8.692031   -8.224654   -7.881889    24   134
   134  N      8.957311   -7.140805   -7.772409    24   133
   135  N     -1.045377   -7.547118   -0.933695    24   136
   136  N     -1.869693   -6.878963   -1.295857    24   135
   137  N     -7.867189    3.801989   -6.660317    24   138
   138  N     -6.840404    3.554207   -6.284274    24   137
   139  N      3.649506    8.645187   -1.531235    24   140
   140  N      4.486769    8.282117   -2.182589    24   139
   141  N     -7.058516    7.727119    4.936530    24   142
   142  N     -6.155408    8.356360    5.149937    24   141
   143  N      5.387228    1.361593    4.520140    24   144
   144  N      5.410028    1.745773    5.573219    24   143
   145  N     -1.721529    6.758939    8.786738    24   146
   146  N     -0.860653    6.964831    8.098558    24   145
   147  N      4.064540    5.309697    0.579317    24   148
   148  N      4.479402    5.505857   -0.443669    24   147
   149  N      6.813069   -2.827058   -4.825464    24   150
   150  N      6.555586   -3.784267   -5.349431    24   149
   151  N     -3.590852   -0.113614   -8.230556    24   152
   152  N     -3.638757    0.353051   -7.212216    24   151
   153  N      1.398647   -8.285638   -8.162354    24   154
   154  N      0.726438   -9.081247   -8.577360    24   153
   155  N      7.160891    0.959529   -5.576828    24   156
   156  N      8.242773    1.036456   -5.860915    24   155
   157  N     -5.179378    7.440974    8.767592    24   158
   158  N     -5.179200    8.548250    8.943746    24   157
   159  N      4.130703    1.080674   -3.539077    24   160
   160  N      4.183651    2.194090   -3.659881    24   159
   161  N     -0.946044   -4.796093   -7.256841    24   162
   162  N     -0.659372   -5.878903   -7.207533    24   161
   163  N      5.763309   -6.052316    1.734691    24   164
   164  N      5.317588   -5.738469    2.714447    24   163
   165  N      3.649611   -2.480334   -0.130187    24   166
   166  N      4.156652   -2.369506   -1.124025    24   165
   167  N      3.312789   -0.908641    6.645152    24   168
   168  N      4.183262   -1.192809    7.292156    24   167
   169  N     -3.819496   -5.854017    6.990089    24   170
   170  N     -2.895055   -5.920026    7.621072    24   169
   171  N      6.764800    4.928686   -7.446047    24   172
   172  N      7.306349    4.316069   -6.678901    24   171
   173  N      3.216901    3.686342    3.071664    24   174
   174  N      3.726790    4.390435    3.779727    24   173
   175  N     -7.619202   -2.799837   -4.926877    24   176
   176  N     -6.780332   -3.294918   -5.482108    24   175
   177  N      5.543101    1.686537   -0.388228    24   178
   178  N      6.143221    0.900734   -0.916868    24   177
   179  N     -7.819702   -3.766627    1.063439    24   180
   180  N     -7.614583   -3.090005    1.933609    24   179
   181  N      6.050046   -7.104098   -3.678139    24   182
   182  N      5.276234   -6.433533   -3.221359    24   181
   183  N     -9.068582   -1.508112    4.773906    24   184
   184  N     -8.340176   -1.831296    5.562618    24   183
   185  N      7.833240    8.539046    2.150449    24   186
   186  N      7.295829    8.892219    3.068897    24   185
   187  N      1.769921   -4.169455    6.737923    24   188
   188  N      0.768556   -4.154902    6.233795    24   187
   189  N     -2.005435   -0.294863    1.153225    24   190
   190  N     -2.156518   -0.930582    2.064338    24   189
   191  N     -1.849917    4.161509   -0.499234    24   192
   192  N     -2.122191    3.178485   -0.033809    24   191
   193  N      0.179454    7.035571   -2.257867    24   194
   194  N      0.593454    6.893400   -1.225646    24   193
   195  N     -1.622282    2.878837    7.736287    24   196
   196  N     -1.473535    3.087762    6.644815    24   195
   197  N     -0.387679   -2.769247   -0.273185    24   198
   198  N     -1.125595   -3.504081   -0.688625    24   197
   199  N     -4.584546   -7.464486    3.017485    24   200
   200  N     -3.994893   -8.269268    2.505894    24   199
   201  N     -5.845210   -4.113877    5.265641    24   202
   202  N     -5.399792   -3.394901    6.001689    24   201
   203  N      0.153052    1.729806    3.469879    24   204
   204  N      0.546304    2.244535    4.385027    24   203
   205  N      4.513851    8.692808   -5.542541    24   206
   206  N      5.278527    8.040315   -6.039144    24   205
   207  N     -7.472307    6.757427   -5.545743    24   208
   208  N     -7.285048    7.226576   -6.546704    24   207
   209  N     -4.443393    1.027292    6.657656    24   210
   210  N     -5.513164    1.362692    6.643963    24   209
   211  N      1.178462   -1.116287   -9.034781    24   212
   212  N      0.380939   -1.781296   -8.611922    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -3.420374    1.908863    3.504037    24     2
     2  N     -3.789203    2.958397    3.364284    24     1
     3  N     -6.970617    4.616441   -2.951412    24     4
     4  N     -7.668792    3.758873   -3.136392    24     3
     5  N     -1.694875    8.895843    6.017572    24     6
     6  N     -2.742053    8.614374    6.302674    24     5
     7  N     -8.757859   -6.663050   -0.750729    24     8
     8  N     -9.155364   -7.303908   -1.580416    24     7
     9  N      4.465276    2.064378   -6.984623    24    10
    10  N      3.365092    1.921548   -6.822500    24     9
    11  N     -4.167341    5.669101    7.093732    24    12
    12  N     -3.567829    5.163772    6.292286    24    11
    13  N      2.083190   -5.681110   -4.418362    24    14
    14  N      2.931244   -6.259374   -4.869477    24    13
    15  N     -4.653644    4.830173   -7.601552    24    16
    16  N     -4.101677    5.723408   -7.208421    24    15
    17  N     -6.229888   -7.614563   -2.705952    24    18
    18  N     -6.432831   -8.642920   -3.103929    24    17
    19  N      5.321391    5.285775    6.674895    24    20
    20  N      6.306618    5.209788    6.145136    24    19
    21  N      0.313624    5.899361   -4.601864    24    22
    22  N     -0.129874    6.124003   -5.606819    24    21
    23  N     -5.987624    0.852308   -4.746042    24    24
    24  N     -4.973200    0.408037   -4.921143    24    23
    25  N      1.492058    1.004137   -1.401264    24    26
    26  N      1.122524   -0.045223   -1.262058    24    25
    27  N     -2.275672   -0.869252   -2.977814    24    28
    28  N     -3.280033   -1.347320   -2.837105    24    27
    29  N      3.519381   -0.056184    1.315412    24    30
    30  N      3.053402    0.792797    1.880374    24    29
    31  N      6.554774    4.324472   -2.914797    24    32
    32  N      7.265614    3.868937   -3.652553    24    31
    33  N      2.319703   -3.826980    2.682412    24    34
    34  N      3.406323   -3.985368    2.456004    24    33
    35  N     -8.006710    2.081967    1.364317    24    36
    36  N     -7.797829    1.895222    0.278691    24    35
    37  N     -7.176369    8.462275    0.885252    24    38
    38  N     -6.588128    8.220615   -0.038145    24    37
    39  N     -6.394178   -5.713787   -5.762163    24    40
    40  N     -5.512850   -5.062158   -5.998236    24    39
    41  N     -3.970963   -6.411478    0.420644    24    42
    42  N     -3.972208   -7.494166    0.711977    24    41
    43  N      4.178060   -6.029725   -9.309252    24    44
    44  N      3.637986   -5.633737   -8.410028    24    43
    45  N     -6.392630   -3.741928    7.930085    24    46
    46  N     -7.034965   -2.823177    7.910248    24    45
    47  N      7.560930    7.781409   -2.098369    24    48
    48  N      7.120700    7.579437   -3.109553    24    47
    49  N      7.424202   -3.174338   -7.289333    24    50
    50  N      6.994107   -3.363914   -8.307257    24    49
    51  N     -3.080344   -4.712471   -3.354930    24    52
    52  N     -3.837099   -5.538249   -3.304921    24    51
    53  N      8.986360   -6.545108   -5.064266    24    54
    54  N      8.784752   -5.453847   -4.904286    24    53
    55  N      2.506524    3.149370    7.251800    24    56
    56  N      3.047714    2.649262    6.406758    24    55
    57  N     -9.100391    5.211313    7.894954    24    58
    58  N     -8.795636    4.171681    7.606202    24    57
    59  N      0.641012    2.058532   -4.434741    24    60
    60  N      1.308996    2.955428   -4.354325    24    59
    61  N      3.388578   -5.999467   -0.515273    24    62
    62  N      2.591872   -6.494480   -1.129531    24    61
    63  N      9.349310    5.167715   -0.346305    24    64
    64  N      8.236627    5.106614   -0.222636    24    63
    65  N     -6.297329    0.136645    4.449538    24    66
    66  N     -5.782619   -0.623140    5.093657    24    65
    67  N     -2.927685    7.199441   -0.860371    24    68
    68  N     -3.022483    7.049636   -1.967468    24    67
    69  N      8.618397    6.260041    3.657343    24    70
    70  N      8.900783    5.988242    2.606880    24    69
    71  N     -3.068649   -2.050310   -6.248138    24    72
    72  N     -1.970365   -2.267593   -6.187715    24    71
    73  N      3.291105   -1.513922   -8.195662    24    74
    74  N      3.730525   -1.433314   -7.167313    24    73
    75  N     -9.194376   -6.817686    3.540179    24    76
    76  N     -8.532822   -7.168852    2.705843    24    75
    77  N      1.948243   -1.963579   -4.075477    24    78
    78  N      0.947776   -1.523436   -4.325334    24    77
    79  N      5.355600   -7.196910    4.115244    24    80
    80  N      4.795955   -7.617182    3.239312    24    79
    81  N     -1.432680   -5.817116    6.072875    24    82
    82  N     -1.231798   -4.714146    6.058947    24    81
    83  N      2.218609    4.973653   -7.776695    24    84
    84  N      2.197061    5.585019   -8.716299    24    83
    85  N      0.617503    5.895676    5.291617    24    86
    86  N     -0.474232    5.789709    5.523942    24    85
    87  N      9.488902    0.167959   -2.087300    24    88
    88  N      8.702575    0.675137   -2.704997    24    87
    89  N     -4.616135    1.314594   -0.109783    24    90
    90  N     -4.986001    1.101558   -1.146559    24    89
    91  N      8.498424   -3.530568   -1.336266    24    92
    92  N      9.245887   -2.855027   -0.844300    24    91
    93  N     -2.853219    6.768841    3.162975    24    94
    94  N     -1.899845    6.372368    2.725965    24    93
    95  N     -3.441876   -8.757349   -6.078786    24    96
    96  N     -2.625110   -9.478852   -6.342258    24    95
    97  N      6.445765    1.834322    8.383156    24    98
    98  N      7.467292    1.466875    8.663434    24    97
    99  N     -3.518688   -2.437822    7.145597    24   100
   100  N     -3.150113   -1.896952    8.055927    24    99
   101  N     -3.274906    3.584270   -4.702676    24   102
   102  N     -2.239808    3.778117   -4.317861    24   101
   103  N     -7.155933   -6.666084    6.491224    24   104
   104  N     -6.146731   -6.899162    6.920496    24   103
   105  N      3.429297    5.876945   -4.388114    24   106
   106  N      3.744661    5.007587   -5.022033    24   105
   107  N      6.681676   -1.344205    2.005688    24   108
   108  N      6.416918   -2.298984    2.530462    24   107
   109  N      3.450761    7.444936    1.860577    24   110
   110  N      2.460573    7.324018    1.348724    24   109
   111  N      6.821666   -5.130820    6.375186    24   112
   112  N      7.843587   -5.071108    6.832571    24   111
   113  N     -4.818520    4.909171    0.845487    24   114
   114  N     -5.493017    5.203322    1.691429    24   113
   115  N     -0.044229    2.609978   -7.804735    24   116
   116  N     -0.948905    2.846476   -7.186093    24   115
   117  N      3.257381    7.807333    6.079144    24   118
   118  N      3.813612    8.437276    5.336939    24   117
   119  N      8.050785    9.202968    6.638544    24   120
   120  N      7.285988    8.932280    5.864655    24   119
   121  N     -5.186457   -2.435524   -0.581425    24   122
   122  N     -5.250416   -3.357564   -1.216123    24   121
   123  N     -6.711405    4.183919    5.006387    24   124
   124  N     -7.558706    3.797053    4.382284    24   123
   125  N     -8.014906   -0.202968   -7.510886    24   126
   126  N     -8.853049   -0.785196   -7.975233    24   125
   127  N     -0.217440   -8.975467   -3.255388    24   128
   128  N     -1.320292   -8.872477   -3.429166    24   127
   129  N      1.399762   -7.360517    8.040993    24   130
   130  N      1.320718   -8.381535    7.584524    24   129
   131  N      7.188069    7.544757   -8.895026    24   132
   132  N      8.289207    7.753380   -8.862449    24   131
   133  N     -8.278846   -6.999292   -8.515450    24   134
   134  N     -9.258139   -7.540183   -8.441215    24   133
   135  N      1.711765   -7.114550    4.400912    24   136
   136  N      1.057983   -7.998125    4.179658    24   135
   137  N     -8.147369    3.327070   -7.587309    24   138
   138  N     -8.038832    4.304254   -7.048401    24   137
   139  N      3.313283    8.133238   -2.400952    24   140
   140  N      4.043112    8.946805   -2.651053    24   139
   141  N     -7.014590    8.195052    4.624101    24   142
   142  N     -6.081773    7.613588    4.403100    24   141
   143  N      7.426271    2.260029    4.693047    24   144
   144  N      7.189614    2.982584    3.869035    24   143
   145  N     -1.165459    5.924038    8.959717    24   146
   146  N     -0.864815    6.877496    8.452153    24   145
   147  N      4.494791    5.051701   -0.471198    24   148
   148  N      4.208906    3.969877   -0.542013    24   147
   149  N      6.438994   -2.132199   -4.277903    24   150
   150  N      7.520609   -1.837873   -4.254004    24   149
   151  N     -3.789244    0.819543   -9.047196    24   152
   152  N     -4.342616    0.723265   -8.076837    24   151
   153  N      1.965041   -9.146377   -7.119980    24   154
   154  N      1.249112   -8.596306   -6.455181    24   153
   155  N      7.382752    0.809568   -5.991232    24   156
   156  N      8.029800    1.642692   -5.611331    24   155
   157  N     -6.216156    8.046917    8.737770    24   158
   158  N     -5.489530    8.461736    9.484112    24   157
   159  N      4.252679    0.767438   -3.089107    24   160
   160  N      5.305811    0.983433   -3.407462    24   159
   161  N     -0.989677   -5.736283   -5.912367    24   162
   162  N     -1.513769   -5.958048   -6.878410    24   161
   163  N      6.270100   -4.911834    0.733470    24   164
   164  N      6.613746   -5.837671    1.264340    24   163
   165  N      3.991775   -2.686011   -0.642109    24   166
   166  N      4.921486   -2.379562   -1.188749    24   165
   167  N      3.432279   -0.524210    6.129998    24   168
   168  N      3.390589   -0.526460    5.009576    24   167
   169  N     -3.794662   -5.841977   -9.188160    24   170
   170  N     -4.100042   -6.658868   -8.483518    24   169
   171  N      6.892955    5.204206   -7.003564    24   172
   172  N      5.839085    5.207279   -7.386233    24   171
   173  N      3.907168    3.949828    2.708560    24   174
   174  N      3.970991    4.491747    3.688018    24   173
   175  N     -7.345403   -2.148889   -4.791417    24   176
   176  N     -7.492475   -2.606180   -3.778330    24   175
   177  N      7.264437    1.913200    0.107922    24   178
   178  N      6.536863    1.096971   -0.140063    24   177
   179  N     -7.260072   -2.572512    1.873501    24   180
   180  N     -8.029868   -1.758655    1.827246    24   179
   181  N      5.744878   -5.562264   -3.413614    24   182
   182  N      5.730254   -6.318446   -2.585926    24   181
   183  N      8.274975   -1.607977    5.615721    24   184
   184  N      9.318856   -2.016913    5.628942    24   183
   185  N      6.781913    8.922972    0.591408    24   186
   186  N      7.410913    8.609550    1.465029    24   185
   187  N      3.304065   -3.970621    6.251607    24   188
   188  N      2.488391   -4.738885    6.290802    24   187
   189  N     -2.217000   -1.397317    1.590402    24   190
   190  N     -1.540608   -0.701704    1.028524    24   189
   191  N     -1.813166    3.225959    0.197872    24   192
   192  N     -0.806278    3.126347   -0.285186    24   191
   193  N      1.246574    5.438252   -1.045182    24   194
   194  N      0.379900    6.148883   -1.014037    24   193
   195  N     -1.685580    2.379179    7.539599    24   196
   196  N     -1.036076    2.307642    6.628494    24   195
   197  N     -0.686211   -5.039201   -0.827895    24   198
   198  N     -0.221367   -4.024094   -0.930694    24   197
   199  N     -3.985763   -7.589262    4.246910    24   200
   200  N     -4.896451   -7.197700    3.723062    24   199
   201  N     -4.733482   -3.772696    4.441207    24   202
   202  N     -5.807643   -4.077050    4.544343    24   201
   203  N      0.544272    3.589579    3.081980    24   204
   204  N      0.595784    2.494842    3.318596    24   203
   205  N      5.636445   -9.640988   -6.271279    24   206
   206  N      5.731023   -8.549909   -6.511472    24   205
   207  N     -7.479541    7.397286   -5.451896    24   208
   208  N     -7.828180    8.396689   -5.821671    24   207
   209  N     -7.828094    0.616302    7.567894    24   210
   210  N     -6.773129    0.727614    7.930865    24   209
   211  N      0.270134   -2.638724   -9.145668    24   212
   212  N      0.095242   -3.675144   -8.755366    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -1.729035    1.685070    3.078706    24     2
     2  N     -2.578078    2.024035    2.429617    24     1
     3  N     -6.843915    4.349675   -4.173899    24     4
     4  N     -6.542597    5.114479   -3.411421    24     3
     5  N     -2.282790    8.895712    7.117533    24     6
     6  N     -2.547343    8.610446    6.065998    24     5
     7  N     -8.478176   -6.986669   -1.116632    24     8
     8  N     -8.722213   -7.146384   -2.199234    24     7
     9  N      4.018190    2.213772   -7.154294    24    10
    10  N      3.584140    1.196646   -7.339077    24     9
    11  N     -5.283867    6.007241    8.050603    24    12
    12  N     -4.269745    5.571018    7.854756    24    11
    13  N      2.020358   -5.490673   -2.681387    24    14
    14  N      1.898980   -6.043367   -3.649316    24    13
    15  N     -3.632866    5.949189   -6.980516    24    16
    16  N     -4.231576    5.010748   -6.846486    24    15
    17  N     -5.521303   -7.884079   -3.804296    24    18
    18  N     -6.100428   -8.794777   -3.500433    24    17
    19  N      5.605833    6.676326    7.996896    24    20
    20  N      5.825743    5.662506    7.571576    24    19
    21  N     -0.316596    5.993240   -4.963488    24    22
    22  N     -0.842444    5.184329   -4.392317    24    21
    23  N     -5.662940    0.577032   -7.056075    24    24
    24  N     -5.612257    0.369602   -5.955396    24    23
    25  N      0.047856    0.528314   -0.171179    24    26
    26  N      1.059625    0.453048   -0.648407    24    25
    27  N     -1.756048   -0.190247   -2.871796    24    28
    28  N     -2.707706   -0.753416   -2.686657    24    27
    29  N      3.173264    0.104783    1.908161    24    30
    30  N      3.794801    0.836761    2.486943    24    29
    31  N      6.905827    4.028944   -3.471437    24    32
    32  N      7.467992    4.967249   -3.717694    24    31
    33  N      0.791114   -2.657210    2.287268    24    34
    34  N      1.282054   -2.622375    3.294668    24    33
    35  N     -6.891274    1.608573    1.573401    24    36
    36  N     -7.723562    1.983131    0.922177    24    35
    37  N     -7.049985    7.481746    0.535972    24    38
    38  N     -7.091238    8.598900    0.450203    24    37
    39  N     -4.500966   -4.961396   -6.671984    24    40
    40  N     -4.976183   -4.082226   -7.180235    24    39
    41  N     -3.822691   -8.045204   -0.233155    24    42
    42  N     -2.812964   -8.301922    0.181136    24    41
    43  N      3.831381   -6.420021   -7.189256    24    44
    44  N      4.346962   -5.470373   -6.890202    24    43
    45  N     -5.994606   -2.939975    8.073279    24    46
    46  N     -6.622685   -3.501412    7.333418    24    45
    47  N      8.242914    8.149569   -2.358571    24    48
    48  N      7.160756    8.026232   -2.092468    24    47
    49  N      7.002698   -3.636672    8.697465    24    50
    50  N      6.914187   -4.579670    9.297472    24    49
    51  N     -3.236815   -4.336732   -2.411258    24    52
    52  N     -2.903844   -4.290488   -3.480876    24    51
    53  N      8.128418   -6.100402   -6.134499    24    54
    54  N      7.467674   -6.907714   -5.723702    24    53
    55  N      2.887114    2.645425    6.831587    24    56
    56  N      3.506658    3.396043    7.388208    24    55
    57  N     -8.937493    5.754473    7.746918    24    58
    58  N     -8.297462    5.620249    6.836187    24    57
    59  N      1.939153    1.938268   -4.283523    24    60
    60  N      1.606495    2.828543   -3.688680    24    59
    61  N      2.130237   -5.959449    1.158163    24    62
    62  N      1.282700   -6.654258    0.921494    24    61
    63  N      8.809638    5.336815   -0.744925    24    64
    64  N      8.030798    5.250447    0.056973    24    63
    65  N     -6.173616    0.197771    4.721189    24    66
    66  N     -5.546974   -0.730405    4.667351    24    65
    67  N     -3.593241    7.203613   -1.636336    24    68
    68  N     -3.576963    7.031643   -2.744150    24    67
    69  N     -8.961197    6.049274    3.232825    24    70
    70  N     -9.118126    4.981579    3.536948    24    69
    71  N     -2.616897   -1.525884   -7.592516    24    72
    72  N     -2.672257   -0.972121   -6.619185    24    71
    73  N      2.659180   -2.579649   -7.181400    24    74
    74  N      3.062446   -2.550692   -8.227167    24    73
    75  N     -8.754893   -6.520846    2.250505    24    76
    76  N     -7.944464   -5.867079    1.834714    24    75
    77  N     -0.135773   -2.826789   -5.398753    24    78
    78  N      0.527251   -2.863512   -4.495349    24    77
    79  N      4.724779   -6.323189    4.474148    24    80
    80  N      4.020202   -6.880367    3.803169    24    79
    81  N     -1.092931   -6.247473    5.298299    24    82
    82  N     -1.598169   -5.312886    4.940007    24    81
    83  N      2.815277    5.459154   -8.126612    24    84
    84  N      3.203218    6.434693   -7.733021    24    83
    85  N      0.826368    5.782736    5.571328    24    86
    86  N      1.460685    6.132380    6.427178    24    85
    87  N      9.130956    0.471203   -2.328375    24    88
    88  N      8.930616    1.517254   -1.978045    24    87
    89  N     -5.460817    0.518662   -1.169629    24    90
    90  N     -5.247596    1.177534   -2.051397    24    89
    91  N      7.694111   -2.706945   -1.739776    24    92
    92  N      6.682222   -2.849022   -1.278276    24    91
    93  N     -2.712335    6.258478    3.085549    24    94
    94  N     -1.955265    6.137030    2.267512    24    93
    95  N     -2.605482   -9.019181   -6.358086    24    96
    96  N     -3.517887   -8.938076   -7.004638    24    95
    97  N      7.130367    1.867841    8.904097    24    98
    98  N      6.374308    1.417723    8.209216    24    97
    99  N     -2.230207   -2.043311    6.344098    24   100
   100  N     -2.905266   -2.724523    6.924904    24    99
   101  N     -3.118987    2.776687   -4.446615    24   102
   102  N     -3.002913    2.444569   -5.511187    24   101
   103  N     -6.400857   -6.994178    5.529090    24   104
   104  N     -6.907405   -7.370302    6.455928    24   103
   105  N      3.008018    5.983635   -3.314302    24   106
   106  N      3.806725    5.551149   -3.971654    24   105
   107  N      6.208168   -1.788135    1.851639    24   108
   108  N      5.275688   -2.328484    2.160822    24   107
   109  N      3.891090    5.973484    1.632839    24   110
   110  N      3.190389    6.715939    2.096376    24   109
   111  N      8.118944   -5.864618    6.263872    24   112
   112  N      8.378994   -5.653244    5.193926    24   111
   113  N     -5.669604    4.586684    0.211273    24   114
   114  N     -4.811996    4.998667    0.804458    24   113
   115  N     -0.376119    3.056542   -8.011598    24   116
   116  N     -0.173438    3.062538   -6.908886    24   115
   117  N      4.583667    8.604953    5.253679    24   118
   118  N      4.427827    7.526073    4.991340    24   117
   119  N      8.426450    8.951338    5.603919    24   120
   120  N      7.727245    8.114788    5.865429    24   119
   121  N     -5.807972   -4.646009   -0.096001    24   122
   122  N     -6.675538   -4.080191   -0.525268    24   121
   123  N     -6.566871    3.365402    4.694943    24   124
   124  N     -5.752523    3.193635    5.446224    24   123
   125  N     -9.547983   -1.218903   -7.428545    24   126
   126  N     -8.617546   -1.843358   -7.390677    24   125
   127  N     -2.203075   -7.801443   -3.227590    24   128
   128  N     -1.348414   -7.232834   -2.776673    24   127
   129  N      1.866673   -8.184136    8.039349    24   130
   130  N      2.538239   -8.949286    7.569633    24   129
   131  N      6.884976   -7.975394   -8.973508    24   132
   132  N      7.942881   -8.173771   -9.287470    24   131
   133  N     -7.546603   -5.373232   -8.346948    24   134
   134  N     -8.213448   -5.881159   -9.091540    24   133
   135  N      0.088267   -9.191760    3.288955    24   136
   136  N     -0.928232   -8.862738    2.949007    24   135
   137  N     -7.460579    5.520981   -7.483116    24   138
   138  N     -8.177082    4.673467   -7.323637    24   137
   139  N      3.698096    9.423931   -0.924574    24   140
   140  N      3.778801    8.843125   -1.880212    24   139
   141  N     -6.043636    7.816390    4.927023    24   142
   142  N     -5.775733    6.730377    4.850259    24   141
   143  N      8.052008    1.470145    3.853884    24   144
   144  N      8.387233    2.092956    4.723839    24   143
   145  N     -0.478642    7.886509   -8.406483    24   146
   146  N     -0.388912    6.795832   -8.162632    24   145
   147  N      3.889880    3.431725   -1.400275    24   148
   148  N      3.480383    3.536063   -0.361759    24   147
   149  N      5.547441   -3.536371   -4.716734    24   150
   150  N      6.270352   -2.967864   -5.358052    24   149
   151  N     -3.586467    1.999327    8.977780    24   152
   152  N     -3.264721    0.960175    8.706247    24   151
   153  N      1.648728   -9.058853   -5.243769    24   154
   154  N      1.385302   -8.614125   -6.238713    24   153
   155  N      7.013173    1.306844   -6.480158    24   156
   156  N      7.730973    1.287941   -5.619056    24   155
   157  N     -6.703932   -8.979830   -8.170895    24   158
   158  N     -6.680005   -9.080541   -9.287306    24   157
   159  N      4.154981    0.290630   -2.757469    24   160
   160  N      5.259538    0.107280   -2.698905    24   159
   161  N     -0.472944   -5.751373   -6.367871    24   162
   162  N     -0.979394   -6.442174   -7.091329    24   161
   163  N      6.006214   -5.541966    0.989787    24   164
   164  N      7.068606   -5.274518    1.228292    24   163
   165  N      3.268098   -3.111516   -1.007216    24   166
   166  N      2.921408   -3.038352    0.056524    24   165
   167  N      4.859747   -0.666061    5.635902    24   168
   168  N      4.806931   -1.072773    6.679398    24   167
   169  N     -3.643358   -5.621760    8.373177    24   170
   170  N     -4.453209   -6.357779    8.129241    24   169
   171  N      6.782684    5.142767   -7.619986    24   172
   172  N      6.349259    4.652417   -6.709608    24   171
   173  N      5.288884    3.871892    4.446321    24   174
   174  N      5.963435    4.714996    4.144253    24   173
   175  N     -7.447354   -4.872691   -4.266190    24   176
   176  N     -6.670837   -4.064177   -4.245773    24   175
   177  N      7.053170    2.423518    0.412875    24   178
   178  N      6.300668    1.601114    0.292534    24   177
   179  N     -8.473688   -2.146249    2.894569    24   180
   180  N     -8.487990   -1.677370    1.876219    24   179
   181  N      6.292893   -6.574315   -2.263966    24   182
   182  N      5.627316   -6.552536   -3.165977    24   181
   183  N      8.475195   -0.653610    6.836069    24   184
   184  N      9.074065   -1.479156    7.301815    24   183
   185  N      7.126616   -9.361951    1.836050    24   186
   186  N      7.287082   -8.807601    2.797318    24   185
   187  N      4.413493   -4.293946    7.582362    24   188
   188  N      3.702955   -4.855025    6.920989    24   187
   189  N     -4.308748   -1.572989    1.464810    24   190
   190  N     -3.323309   -1.165854    1.811569    24   189
   191  N     -1.683164    4.224353   -1.231773    24   192
   192  N     -0.806263    3.538853   -1.366767    24   191
   193  N      0.266637    7.538498   -0.283114    24   194
   194  N     -0.004478    7.942868   -1.293099    24   193
   195  N     -0.822762    1.206996    6.860672    24   196
   196  N     -0.366204    2.192980    6.584125    24   195
   197  N     -0.652356   -2.896709   -1.063946    24   198
   198  N     -0.058958   -3.674478   -0.516181    24   197
   199  N     -4.352449   -7.306791    2.991417    24   200
   200  N     -4.483691   -8.420245    3.000567    24   199
   201  N     -5.517578   -4.423711    3.585482    24   202
   202  N     -4.729444   -4.203270    4.351864    24   201
   203  N      1.570074    3.715438    3.360084    24   204
   204  N      1.303206    3.577433    2.279886    24   203
   205  N      5.792336    8.319502   -5.074536    24   206
   206  N      4.936942    8.429005   -5.791055    24   205
   207  N     -9.495141    7.735813   -6.088214    24   208
   208  N     -8.687660    8.309990   -5.563444    24   207
   209  N     -7.165926    2.464913    8.264445    24   210
   210  N     -7.388205    1.385152    8.468886    24   209
   211  N      0.488826   -4.204425    8.654970    24   212
   212  N      0.313753   -4.124151    7.550436    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -3.322998    1.409253    2.793364    24     2
     2  N     -2.681474    0.489943    2.813443    24     1
     3  N     -5.963176    4.584578   -2.495464    24     4
     4  N     -6.334655    3.838196   -3.245135    24     3
     5  N     -2.173962   -8.508735    5.144927    24     6
     6  N     -2.794200   -8.915507    5.985718    24     5
     7  N     -8.705124   -7.692321   -0.892327    24     8
     8  N     -8.560989   -7.198962   -1.888777    24     7
     9  N      3.315791    1.430066   -6.943461    24    10
    10  N      4.270507    1.487252   -7.528556    24     9
    11  N     -5.501089    6.923517    8.172408    24    12
    12  N     -4.472721    6.629926    7.835731    24    11
    13  N      2.176747   -5.848976   -2.535178    24    14
    14  N      1.148602   -5.677011   -2.948017    24    13
    15  N     -4.940961    6.339672   -6.624452    24    16
    16  N     -4.752031    5.265287   -6.883472    24    15
    17  N     -6.161500   -5.647980   -4.550077    24    18
    18  N     -5.730154   -6.650818   -4.294447    24    17
    19  N      5.172048    6.982121    8.651522    24    20
    20  N      5.916779    6.283628    8.188303    24    19
    21  N     -1.505240    5.794131   -6.078088    24    22
    22  N     -0.593335    5.299868   -5.652387    24    21
    23  N     -5.747819    0.790464   -5.875238    24    24
    24  N     -6.572947    1.145475   -5.204253    24    23
    25  N      0.523697   -0.096065   -0.126321    24    26
    26  N     -0.224674    0.459197    0.497148    24    25
    27  N     -1.503226   -0.951774   -2.675861    24    28
    28  N     -2.297611   -0.785199   -3.449355    24    27
    29  N      4.355523    0.951571    3.649221    24    30
    30  N      5.108896    1.159467    4.453146    24    29
    31  N      6.106181    4.302494   -2.335909    24    32
    32  N      6.557877    4.959416   -3.124270    24    31
    33  N      1.476009   -2.293796    2.645722    24    34
    34  N      0.804146   -1.521276    3.102780    24    33
    35  N     -6.753487    2.054953    1.747178    24    36
    36  N     -6.811189    1.677298    0.693073    24    35
    37  N     -7.650267    7.685121    0.736298    24    38
    38  N     -6.758187    8.191533    0.283717    24    37
    39  N     -3.749518   -2.477933   -6.682893    24    40
    40  N     -4.625796   -2.618527   -5.997722    24    39
    41  N     -3.701316   -9.140319   -1.086107    24    42
    42  N     -3.598414   -8.037950   -1.262979    24    41
    43  N      3.485522   -6.346238   -6.290467    24    44
    44  N      3.875260   -5.295533   -6.255610    24    43
    45  N     -5.398066   -2.080560    7.776314    24    46
    46  N     -5.763940   -2.985312    8.328265    24    45
    47  N      7.179445    8.388456   -1.707854    24    48
    48  N      6.073182    8.206187   -1.700856    24    47
    49  N      6.957631   -4.039960   -9.069934    24    50
    50  N      6.453124   -4.701827   -8.318606    24    49
    51  N     -2.963853   -4.606128   -2.810364    24    52
    52  N     -2.186831   -4.377802   -3.585731    24    51
    53  N      8.287218   -5.580531   -5.666437    24    54
    54  N      8.513477   -6.633356   -5.354261    24    53
    55  N      3.400326    3.355519    6.483634    24    56
    56  N      3.477590    3.685594    7.552358    24    55
    57  N     -8.504325    5.503040    7.941168    24    58
    58  N     -8.244648    4.511808    7.486069    24    57
    59  N      1.261730    1.272925   -4.065222    24    60
    60  N      2.209391    0.929764   -3.574029    24    59
    61  N     -1.012586   -6.528527    0.571172    24    62
    62  N     -0.075495   -6.874242    0.061829    24    61
    63  N     -8.568694    4.840208   -0.526222    24    64
    64  N     -9.664738    5.039529   -0.652903    24    63
    65  N     -5.765688   -0.514091    4.155836    24    66
    66  N     -6.050418    0.304121    4.867558    24    65
    67  N     -2.419615    6.745586   -3.013812    24    68
    68  N     -2.848605    5.709806   -3.028582    24    67
    69  N     -8.985011    4.378572    2.665645    24    70
    70  N     -9.076166    4.555881    3.768977    24    69
    71  N      0.186687    0.429601   -7.597180    24    72
    72  N     -0.348713   -0.359470   -7.007431    24    71
    73  N      3.229331   -2.179569   -8.190750    24    74
    74  N      2.174765   -2.434500   -8.473579    24    73
    75  N     -8.441382   -8.270295    2.999537    24    76
    76  N     -8.141124   -7.470428    3.725585    24    75
    77  N      2.084478   -1.890710   -4.816846    24    78
    78  N      1.786688   -2.569962   -3.975997    24    77
    79  N      2.218103   -6.258689    3.502167    24    80
    80  N      2.065540   -5.411008    2.784358    24    79
    81  N     -1.215572   -4.854309    3.909647    24    82
    82  N     -1.765341   -5.824414    3.792429    24    81
    83  N      2.762423    5.729986   -7.794229    24    84
    84  N      2.077678    6.332468   -7.142133    24    83
    85  N      1.869315    7.334915    5.778615    24    86
    86  N      1.710267    6.374620    6.335056    24    85
    87  N     -8.682930    0.032869   -2.656850    24    88
    88  N     -9.004697    0.801892   -1.907077    24    87
    89  N     -5.215692    0.774164   -2.245467    24    90
    90  N     -4.431335    1.266792   -1.613651    24    89
    91  N      8.035644   -3.038572   -1.842899    24    92
    92  N      7.429914   -2.095128   -1.833241    24    91
    93  N     -2.377583    4.924481    4.887280    24    94
    94  N     -2.618807    5.961090    4.534658    24    93
    95  N     -4.322799   -9.001464   -8.278523    24    96
    96  N     -3.655338   -8.349886   -7.656404    24    95
    97  N      6.673777    2.352391    7.529049    24    98
    98  N      6.865961    3.237259    8.190231    24    97
    99  N     -2.982873   -1.665429    5.261314    24   100
   100  N     -2.844269   -2.202030    6.235961    24    99
   101  N     -3.240977    2.858581   -5.129047    24   102
   102  N     -2.409115    2.201585   -5.494358    24   101
   103  N     -5.882613   -7.682074    6.088860    24   104
   104  N     -6.813128   -7.478103    6.680152    24   103
   105  N      2.909515    4.974195   -3.020575    24   106
   106  N      2.572031    5.144652   -4.076103    24   105
   107  N      4.708730   -2.574132    3.148128    24   108
   108  N      5.782616   -2.269195    3.252398    24   107
   109  N      4.711951    6.070588   -0.068319    24   110
   110  N      3.724781    5.930350    0.444435    24   109
   111  N      7.160994   -5.904705    6.244499    24   112
   112  N      7.357147   -6.544876    5.345170    24   111
   113  N     -4.413955    4.911227    1.115796    24   114
   114  N     -3.337232    5.121303    1.347367    24   113
   115  N      0.038909    4.282627   -8.704657    24   116
   116  N      0.477558    3.378421   -9.201735    24   115
   117  N      4.286692    8.519269    3.630747    24   118
   118  N      4.586740    9.576885    3.850995    24   117
   119  N      8.692875    7.588676    5.875923    24   120
   120  N      7.934123    8.411720    5.939037    24   119
   121  N     -5.188394   -4.878334    0.648138    24   122
   122  N     -6.104399   -5.478428    0.407491    24   121
   123  N     -5.382937    3.399334    5.447365    24   124
   124  N     -6.083316    3.733035    4.637919    24   123
   125  N     -8.111792   -1.694249   -6.859477    24   126
   126  N     -8.268541   -2.204084   -7.845676    24   125
   127  N     -2.373535   -8.206680   -4.907215    24   128
   128  N     -1.701972   -8.146110   -4.011435    24   127
   129  N      3.405250   -8.342156    8.937690    24   130
   130  N      2.527087   -8.882918    8.497809    24   129
   131  N      7.762416   -7.824278    9.073406    24   132
   132  N      6.791770   -7.917304    8.519977    24   131
   133  N     -6.875617   -5.498881   -7.951620    24   134
   134  N     -6.928005   -6.579371   -8.246382    24   133
   135  N     -0.531774    7.829461    2.131501    24   136
   136  N      0.012222    7.043011    2.716868    24   135
   137  N     -8.905939    3.809043   -6.473621    24   138
   138  N     -7.981736    4.429171   -6.609193    24   137
   139  N      3.221379   -8.333802   -0.046221    24   140
   140  N      3.596747   -7.844205    0.889987    24   139
   141  N     -6.405850    7.351749    4.887817    24   142
   142  N     -6.410834    7.130395    3.788696    24   141
   143  N      8.252447    1.526392    4.715538    24   144
   144  N      8.678002    0.489200    4.730529    24   143
   145  N     -0.896156    8.774718   -8.797237    24   146
   146  N     -0.755746    7.686588   -9.028211    24   145
   147  N      2.990055    2.428765   -0.125753    24   148
   148  N      2.224949    2.808968   -0.851803    24   147
   149  N      5.262604   -1.812357   -5.601947    24   150
   150  N      5.381676   -2.135699   -4.535007    24   149
   151  N     -2.864293    2.535366    8.376575    24   152
   152  N     -2.574195    1.923258    7.483124    24   151
   153  N      1.066621   -8.190189   -5.606643    24   154
   154  N      0.984097   -8.855194   -6.505558    24   153
   155  N      7.467751    0.578882   -6.209566    24   156
   156  N      7.608452    0.959465   -7.254770    24   155
   157  N     -8.537543    7.436365   -7.584899    24   158
   158  N     -7.675043    8.149042   -7.657514    24   157
   159  N      5.390546    1.410002   -3.436340    24   160
   160  N      5.229667    0.889390   -2.456456    24   159
   161  N     -0.249043   -5.076277   -6.548581    24   162
   162  N     -1.132765   -5.661040   -6.914884    24   161
   163  N      6.283721   -5.087343    0.756961    24   164
   164  N      6.586341   -6.154312    0.592377    24   163
   165  N      4.068704   -2.356095   -1.536973    24   166
   166  N      3.970341   -2.133014   -0.442602    24   165
   167  N      4.439902   -0.683129    7.602231    24   168
   168  N      4.473080    0.437567    7.597092    24   167
   169  N     -3.498755   -6.242130    7.871486    24   170
   170  N     -3.247311   -5.308145    8.438527    24   169
   171  N      5.239761    4.753895   -5.891626    24   172
   172  N      5.968095    4.458556   -6.691246    24   171
   173  N      5.677628    4.973772    3.735448    24   174
   174  N      5.743145    4.864836    4.849417    24   173
   175  N     -6.366506   -2.393499   -3.097776    24   176
   176  N     -6.590510   -3.128136   -2.280941    24   175
   177  N      7.060274    1.779317    0.364251    24   178
   178  N      6.962779    1.283176    1.364965    24   177
   179  N     -8.973846   -3.833221    1.749034    24   180
   180  N     -8.815761   -4.793523    2.305738    24   179
   181  N      5.904372   -4.866596   -2.928669    24   182
   182  N      5.602421   -5.598354   -3.722676    24   181
   183  N      8.800679   -2.937525    5.814020    24   184
   184  N      8.217730   -2.245877    6.476502    24   183
   185  N      7.228371    8.334404    1.737939    24   186
   186  N      7.518891    7.251700    1.716972    24   185
   187  N      3.995001   -4.603207    7.106352    24   188
   188  N      3.810606   -4.020379    6.166459    24   187
   189  N     -6.135423   -1.771479    1.097060    24   190
   190  N     -5.318324   -1.245399    0.537884    24   189
   191  N     -0.782205    3.386381   -2.409118    24   192
   192  N     -1.500669    2.857200   -1.730247    24   191
   193  N      0.443386    6.881869   -1.124669    24   194
   194  N      0.381118    7.611343   -1.973833    24   193
   195  N      0.052183    1.477100    5.383169    24   196
   196  N      0.866666    0.750435    5.639419    24   195
   197  N     -2.117275   -3.033818    1.174628    24   198
   198  N     -1.337643   -2.888034    0.382155    24   197
   199  N     -4.927496   -7.791254    2.296010    24   200
   200  N     -3.949320   -8.198638    2.662477    24   199
   201  N     -5.458733   -4.441629    5.173604    24   202
   202  N     -5.076778   -4.172816    4.154319    24   201
   203  N      2.579728    3.772452    3.332160    24   204
   204  N      1.734189    3.378861    2.709874    24   203
   205  N      5.266339    9.257396   -6.158249    24   206
   206  N      4.663986    8.491708   -6.713212    24   205
   207  N     -8.913778    7.505976   -3.835837    24   208
   208  N     -8.217595    6.912185   -3.187892    24   207
   209  N     -6.894862    0.936759    8.566904    24   210
   210  N     -7.418105    1.169459    9.530832    24   209
   211  N      0.287300   -2.862599    6.890560    24   212
   212  N      0.705065   -3.840505    7.245893    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -2.980799    0.726836    2.628312    24     2
     2  N     -2.612215    1.103287    3.618018    24     1
     3  N     -5.889180    4.679018   -2.381675    24     4
     4  N     -5.934591    3.611676   -2.721981    24     3
     5  N     -0.818862   -9.349711    6.091608    24     6
     6  N     -0.235326   -8.452162    6.424744    24     5
     7  N      9.554990   -5.847256   -1.681400    24     8
     8  N      8.652779   -6.410435   -1.326528    24     7
     9  N      3.447967    0.802935   -7.460007    24    10
    10  N      3.911362    0.279717   -8.336705    24     9
    11  N     -3.219596    5.980192    8.482339    24    12
    12  N     -3.345282    6.594702    7.553001    24    11
    13  N      1.475049   -7.250250   -2.735826    24    14
    14  N      1.096552   -7.088407   -3.778724    24    13
    15  N     -5.896640    5.149691   -6.022884    24    16
    16  N     -6.146711    5.167813   -7.115690    24    15
    17  N     -5.087070   -4.919310   -5.669215    24    18
    18  N     -4.889640   -5.478989   -4.717968    24    17
    19  N      5.633465    7.566721    8.630337    24    20
    20  N      6.398009    6.885046    8.174399    24    19
    21  N     -1.594809    6.855820   -5.119494    24    22
    22  N     -2.120722    6.634314   -6.084605    24    21
    23  N     -4.744158    2.172673   -6.093833    24    24
    24  N     -4.105259    1.768079   -6.921603    24    23
    25  N      0.590108    0.738300   -0.264975    24    26
    26  N      0.561857   -0.338230    0.047073    24    25
    27  N     -1.928834   -0.520178   -3.657150    24    28
    28  N     -1.425820   -0.545197   -4.658868    24    27
    29  N      4.468773    1.444978    3.203027    24    30
    30  N      5.056453    2.171799    3.822262    24    29
    31  N      4.977700    5.796206   -3.553169    24    32
    32  N      4.631565    5.496920   -2.529593    24    31
    33  N      1.113464   -2.905961    2.150740    24    34
    34  N      1.632205   -2.354441    2.977676    24    33
    35  N     -7.081990    2.620777    1.124354    24    36
    36  N     -8.182226    2.639593    1.339334    24    35
    37  N     -6.850202    6.515935    0.461775    24    38
    38  N     -6.504954    7.095362   -0.433857    24    37
    39  N     -4.239190   -2.088555   -7.758745    24    40
    40  N     -5.142865   -1.703737   -7.218027    24    39
    41  N     -5.035260   -8.257122   -2.182069    24    42
    42  N     -6.026497   -7.780508   -1.964405    24    41
    43  N      4.661227   -6.276213   -7.029003    24    44
    44  N      3.943256   -6.368981   -6.172847    24    43
    45  N     -7.403126   -2.025073    8.465470    24    46
    46  N     -8.490502   -2.242035    8.631696    24    45
    47  N      4.776208    8.860635   -1.763524    24    48
    48  N      5.641165    9.281135   -1.187227    24    47
    49  N      6.377724   -3.384273    8.672576    24    50
    50  N      6.196355   -2.293640    8.858890    24    49
    51  N     -2.039773   -4.143790   -2.614982    24    52
    52  N     -2.905279   -3.435454   -2.535936    24    51
    53  N      8.130439   -7.046653   -4.759537    24    54
    54  N      7.536151   -7.478231   -5.606680    24    53
    55  N      3.290493    2.920213    6.974864    24    56
    56  N      3.224129    3.326554    8.017732    24    55
    57  N     -7.058828    5.425594    8.111679    24    58
    58  N     -8.122843    5.757372    8.233679    24    57
    59  N      1.583508    0.576721   -4.011331    24    60
    60  N      2.189499    0.068363   -3.216701    24    59
    61  N     -1.346775   -7.998943    0.393010    24    62
    62  N     -1.716673   -7.864192   -0.656803    24    61
    63  N      9.074981    4.648756   -1.135347    24    64
    64  N      8.209861    4.602060   -0.423675    24    63
    65  N     -7.017526   -1.687611    4.388063    24    66
    66  N     -6.661796   -0.630451    4.501900    24    65
    67  N     -2.641670    6.314396   -1.811759    24    68
    68  N     -3.036802    7.345393   -1.616805    24    67
    69  N     -9.197176    5.373946    2.905229    24    70
    70  N     -9.018545    4.964116    3.933441    24    69
    71  N     -0.628158   -0.322356   -8.298213    24    72
    72  N      0.339580   -0.815392   -8.019844    24    71
    73  N      2.453031   -3.420540   -9.034437    24    74
    74  N      2.842074   -4.469012   -9.114709    24    73
    75  N     -6.026708   -8.415829    2.025897    24    76
    76  N     -6.888438   -8.048630    1.409719    24    75
    77  N      1.803341   -3.049935   -4.378816    24    78
    78  N      1.727679   -3.334563   -3.296988    24    77
    79  N      1.268489   -6.353492    3.366209    24    80
    80  N      2.270917   -5.854203    3.312021    24    79
    81  N     -2.623624   -5.635393    3.851841    24    82
    82  N     -3.459543   -5.498153    4.586344    24    81
    83  N      2.198321    6.112495   -8.288894    24    84
    84  N      3.237674    5.941368   -7.904772    24    83
    85  N      1.774302    6.001721    6.562070    24    86
    86  N      2.391661    6.896800    6.288589    24    85
    87  N     -8.473452    0.857136   -2.906284    24    88
    88  N     -8.463255    1.450782   -1.955196    24    87
    89  N     -3.655221    0.885028   -1.025601    24    90
    90  N     -2.615277    1.128344   -0.684420    24    89
    91  N      8.509503   -2.925616   -1.658757    24    92
    92  N      9.143731   -2.101132   -1.240344    24    91
    93  N     -1.318212    4.648233    4.715480    24    94
    94  N     -0.779689    4.110457    5.538815    24    93
    95  N     -5.435449    8.825099   -6.628098    24    96
    96  N     -5.856721    9.328142   -5.718941    24    95
    97  N      6.803856    3.043215    7.420295    24    98
    98  N      7.796761    3.554174    7.521042    24    97
    99  N     -3.382178   -2.103191    5.091328    24   100
   100  N     -3.013779   -2.294050    6.132935    24    99
   101  N     -1.073428    3.235522   -3.261804    24   102
   102  N     -2.015495    3.230344   -3.869729    24   101
   103  N     -6.562756   -8.462868    7.219074    24   104
   104  N     -6.825135   -9.282241    7.938014    24   103
   105  N      2.098436    4.141541   -4.303689    24   106
   106  N      1.526776    4.380168   -5.238222    24   105
   107  N      5.794817   -1.570666    3.046474    24   108
   108  N      5.316862   -2.573896    3.195396    24   107
   109  N      3.100723    6.612320    0.068613    24   110
   110  N      3.909922    6.565021    0.843240    24   109
   111  N      7.978424   -7.158399    4.768422    24   112
   112  N      7.443328   -6.292854    4.297686    24   111
   113  N     -4.093238    4.075908    1.088866    24   114
   114  N     -3.560607    4.515375    1.972192    24   113
   115  N     -0.872228    4.266034   -8.200176    24   116
   116  N     -0.438793    3.471899   -8.862422    24   115
   117  N      4.156161   -8.442025    5.436072    24   118
   118  N      4.926153   -8.640776    4.645692    24   117
   119  N      8.751187    7.712942    5.532078    24   120
   120  N      8.784302    8.270155    6.504450    24   119
   121  N     -6.169303   -4.611285    1.106885    24   122
   122  N     -5.692076   -4.137438    0.209771    24   121
   123  N     -5.589445    3.538236    4.811310    24   124
   124  N     -5.140279    3.954280    5.750591    24   123
   125  N     -7.871219   -2.885435   -4.650235    24   126
   126  N     -8.864898   -2.524204   -5.023339    24   125
   127  N     -2.738843   -8.414855   -4.424466    24   128
   128  N     -2.094510   -7.593639   -4.015162    24   127
   129  N      2.677143   -8.499914    8.405901    24   130
   130  N      3.643872   -7.933547    8.447757    24   129
   131  N      7.490863   -6.691139    8.150768    24   132
   132  N      7.877290   -7.426306    8.903956    24   131
   133  N     -8.126566   -6.139331   -7.603741    24   134
   134  N     -7.408074   -6.817931   -8.133230    24   133
   135  N      0.424395    7.158170    1.923005    24   136
   136  N      0.108212    7.424799    0.880879    24   135
   137  N      9.260175    4.696734   -4.885006    24   138
   138  N      8.343924    4.525978   -4.261775    24   137
   139  N      2.473803   -7.549339    0.352988    24   140
   140  N      1.963700   -8.494216    0.675621    24   139
   141  N     -6.427108    7.706077    4.220373    24   142
   142  N     -5.550194    7.049954    4.460405    24   141
   143  N      8.498461    0.603164    4.783963    24   144
   144  N      7.716839    1.057313    5.447217    24   143
   145  N     -1.167800    8.912437   -8.401889    24   146
   146  N     -0.634122    7.978975   -8.719582    24   145
   147  N      4.268938    2.448681   -0.901129    24   148
   148  N      4.679797    3.206738   -0.184446    24   147
   149  N      5.801520   -2.553620   -5.649416    24   150
   150  N      5.891915   -3.055158   -4.650728    24   149
   151  N     -3.022522    1.600977    7.752499    24   152
   152  N     -2.236763    1.030905    7.191528    24   151
   153  N      1.968159    8.916294   -6.947291    24   154
   154  N      1.372022    8.547532   -6.072233    24   153
   155  N      7.916508    0.235046   -7.625292    24   156
   156  N      8.085334    0.975637   -6.800602    24   155
   157  N      8.374627    7.552605   -7.524677    24   158
   158  N      9.440739    7.899716   -7.522192    24   157
   159  N      5.615669    2.089586   -4.418029    24   160
   160  N      6.347594    2.022767   -3.571322    24   159
   161  N     -0.514718   -3.930943   -6.390497    24   162
   162  N     -0.287979   -4.885799   -6.932649    24   161
   163  N      5.707764   -5.567339    1.616200    24   164
   164  N      5.245832   -6.588069    1.658853    24   163
   165  N      4.513382   -2.348782   -0.116718    24   166
   166  N      4.474091   -1.489904   -0.836352    24   165
   167  N      4.934397   -0.745982    6.141877    24   168
   168  N      3.885759   -0.821829    6.531355    24   167
   169  N     -3.334253   -4.905233    8.905066    24   170
   170  N     -2.651149   -5.246250    8.083991    24   169
   171  N      5.591717    3.762322   -7.486717    24   172
   172  N      6.351746    4.586350   -7.507276    24   171
   173  N      5.730246    6.109174    3.735775    24   174
   174  N      5.309356    5.844370    4.740672    24   173
   175  N     -5.320363   -0.626523   -3.780334    24   176
   176  N     -5.521445   -1.152774   -2.810944    24   175
   177  N      6.744475    0.638135    0.310025    24   178
   178  N      7.629686    0.093716   -0.110805    24   177
   179  N      9.295353   -4.049514    1.864961    24   180
   180  N      8.687361   -3.815981    2.777592    24   179
   181  N      5.276836   -5.231303   -2.217351    24   182
   182  N      5.205642   -6.079803   -2.946782    24   181
   183  N      7.343091   -3.259551    5.763518    24   184
   184  N      8.351195   -2.770220    5.726499    24   183
   185  N      8.200520    9.259454    1.929388    24   186
   186  N      8.233386    8.215520    1.521700    24   185
   187  N      4.602533   -5.425028    6.077648    24   188
   188  N      4.064788   -4.526760    5.676359    24   187
   189  N     -6.907419   -1.373952    0.842845    24   190
   190  N     -6.505382   -0.428079    0.394760    24   189
   191  N      0.653703    4.216300   -0.163757    24   192
   192  N     -0.406793    3.953783    0.088281    24   191
   193  N      1.111218    7.893021   -2.240194    24   194
   194  N      0.878054    6.856105   -2.597304    24   193
   195  N      1.153224    0.618820    3.707337    24   196
   196  N      1.346219    0.954607    4.759519    24   195
   197  N     -2.373073   -2.661639    0.848475    24   198
   198  N     -2.348200   -2.982277    1.922563    24   197
   199  N     -2.775041    9.053014    3.340399    24   200
   200  N     -2.706094    8.066525    2.812030    24   199
   201  N     -7.310022   -4.958921    6.279223    24   202
   202  N     -6.812505   -5.157497    5.294269    24   201
   203  N      2.144028    4.879739    3.254228    24   204
   204  N      2.097160    3.791191    2.989733    24   203
   205  N      4.885526    8.313687   -5.387363    24   206
   206  N      5.882359    8.143650   -5.871616    24   205
   207  N     -9.312288    7.836390   -3.121416    24   208
   208  N     -8.511924    7.874615   -3.905664    24   207
   209  N     -7.807253    1.480440    7.044713    24   210
   210  N     -7.657421    2.152030    7.929929    24   209
   211  N      0.426656   -3.661331    6.500776    24   212
   212  N     -0.029030   -2.823055    5.911936    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.731384    0.183184    3.078046    24     2
     2  N     -4.969659    0.292883    2.262676    24     1
     3  N     -5.715670    4.912157   -2.804986    24     4
     4  N     -6.714406    5.397489   -2.960135    24     3
     5  N     -0.791218   -7.797331    6.221061    24     6
     6  N     -1.116435   -7.066087    7.006303    24     5
     7  N      9.294334   -7.584785   -0.188558    24     8
     8  N      8.813510   -6.956934   -0.983354    24     7
     9  N      2.727053    1.721856   -8.444935    24    10
    10  N      1.995458    1.308814   -7.702469    24     9
    11  N     -3.199260    5.499410    8.449039    24    12
    12  N     -4.223328    5.073465    8.284891    24    11
    13  N      2.846974   -8.503933   -3.761542    24    14
    14  N      2.003308   -7.987705   -4.289582    24    13
    15  N     -5.792454    5.042324   -6.570085    24    16
    16  N     -6.788134    4.717227   -6.970111    24    15
    17  N     -4.587430   -4.192974   -4.884991    24    18
    18  N     -5.354031   -4.813658   -4.351922    24    17
    19  N      4.830518    7.630054    7.468355    24    20
    20  N      5.360704    6.646569    7.561890    24    19
    21  N     -2.763874    5.602281   -4.676631    24    22
    22  N     -1.829614    6.006032   -5.146986    24    21
    23  N     -4.802270    1.433593   -6.456362    24    24
    24  N     -4.811244    2.136799   -7.329581    24    23
    25  N      1.488414    0.167533    0.719449    24    26
    26  N      0.571767   -0.357078    0.343113    24    25
    27  N     -1.419586   -0.336658   -5.420131    24    28
    28  N     -1.758564   -1.185914   -4.771327    24    27
    29  N      3.659651    0.894257    3.402876    24    30
    30  N      4.730812    1.214956    3.485671    24    29
    31  N      4.507857    5.654226   -3.737829    24    32
    32  N      4.951679    4.991504   -2.949851    24    31
    33  N      2.450257   -2.469313    3.421959    24    34
    34  N      1.447472   -2.023088    3.650860    24    33
    35  N     -6.745954    3.044542    0.231910    24    36
    36  N     -5.845404    3.701538    0.352138    24    35
    37  N     -6.467899    6.410858    1.110462    24    38
    38  N     -7.506834    6.694374    0.798495    24    37
    39  N     -4.786431   -2.409259   -8.597566    24    40
    40  N     -4.435152   -1.345707   -8.648070    24    39
    41  N     -5.737161   -8.016775   -2.049650    24    42
    42  N     -5.144789   -8.506751   -2.865804    24    41
    43  N      6.520694   -5.149765   -7.044603    24    44
    44  N      5.925651   -5.876010   -6.431754    24    43
    45  N     -9.054462   -1.764581    8.343076    24    46
    46  N     -9.046731   -0.676336    8.073347    24    45
    47  N      6.219932   -9.258224   -3.018486    24    48
    48  N      5.931738   -8.780277   -2.046067    24    47
    49  N      6.156304   -2.093981   -9.500938    24    50
    50  N      5.830273   -1.424184   -8.662985    24    49
    51  N     -1.709418   -4.195933   -1.711516    24    52
    52  N     -2.582705   -3.966424   -1.046847    24    51
    53  N     -8.647760   -7.579686   -4.294353    24    54
    54  N     -9.294607   -6.839721   -4.833918    24    53
    55  N      3.443214    3.356074    6.426511    24    56
    56  N      2.342932    3.560086    6.356881    24    55
    57  N     -7.569792    4.834617    7.370918    24    58
    58  N     -7.333069    5.650717    8.102375    24    57
    59  N      2.849877    0.135170   -4.298243    24    60
    60  N      1.808242   -0.172179   -4.019636    24    59
    61  N     -1.377763   -7.466310   -0.340892    24    62
    62  N     -1.380432   -7.401356    0.778423    24    61
    63  N      7.060712    4.880640   -0.023923    24    64
    64  N      8.135749    4.838253    0.291654    24    63
    65  N     -6.312259   -3.332421    3.786416    24    66
    66  N     -6.694516   -2.641035    4.582001    24    65
    67  N     -1.895004    7.495614   -0.534074    24    68
    68  N     -2.831942    7.800999   -1.068843    24    67
    69  N     -8.649926    5.051880    3.808168    24    70
    70  N     -9.111276    4.130435    4.249965    24    69
    71  N     -1.013235   -1.533147   -8.486786    24    72
    72  N     -0.250209   -1.023251   -9.130905    24    71
    73  N      2.767707   -2.512077   -7.388006    24    74
    74  N      2.672700   -3.403046   -8.061979    24    73
    75  N     -4.799491   -8.066510    1.765279    24    76
    76  N     -5.351636   -7.407604    2.485048    24    75
    77  N      2.333150   -4.781395   -2.972982    24    78
    78  N      1.601201   -4.047774   -3.400931    24    77
    79  N      0.694031   -6.471305    3.411360    24    80
    80  N      1.454380   -6.318512    2.601661    24    79
    81  N     -3.137833   -4.862328    3.960081    24    82
    82  N     -3.128816   -5.883262    4.423442    24    81
    83  N      3.026327    5.528848   -8.596657    24    84
    84  N      2.906149    5.154110   -7.546792    24    83
    85  N      1.660269    7.659865    7.105613    24    86
    86  N      1.592537    6.836791    6.347293    24    85
    87  N     -8.586775    1.059052   -2.956445    24    88
    88  N     -8.370935    2.023137   -2.426310    24    87
    89  N     -3.871493    0.676199   -0.932510    24    90
    90  N     -3.141034   -0.149534   -1.136680    24    89
    91  N      8.563935   -3.159782   -2.649826    24    92
    92  N      8.739637   -2.193439   -2.109088    24    91
    93  N     -1.482983    5.712657    5.408303    24    94
    94  N     -0.850602    5.422643    4.529056    24    93
    95  N     -6.309295    9.130129   -5.630650    24    96
    96  N     -6.587689    8.062001   -5.433957    24    95
    97  N      7.148069    3.137143    6.561391    24    98
    98  N      7.445017    2.200539    7.101469    24    97
    99  N     -3.534699   -2.581434    6.200363    24   100
   100  N     -2.622908   -2.184532    6.718238    24    99
   101  N     -0.922912    4.191920   -2.530663    24   102
   102  N     -1.786408    3.486489   -2.413055    24   101
   103  N     -5.546889    9.075849    8.220727    24   104
   104  N     -5.881175    8.505101    7.315416    24   103
   105  N      0.700279    3.285367   -5.285008    24   106
   106  N      1.622457    3.410000   -4.659593    24   105
   107  N      6.113907   -1.485556    2.700393    24   108
   108  N      5.545052   -2.323313    2.219085    24   107
   109  N      4.081102    7.081094   -0.258262    24   110
   110  N      3.561744    7.565593    0.609272    24   109
   111  N     -8.617921   -6.550103    3.436978    24   112
   112  N     -9.073683   -5.736132    4.058927    24   111
   113  N     -2.307247    2.579813    1.033668    24   114
   114  N     -2.545799    2.604051    2.128929    24   113
   115  N     -0.257496    4.116914    9.476865    24   116
   116  N     -0.543983    3.449515    8.622704    24   115
   117  N      3.583571   -8.323642    4.700484    24   118
   118  N      4.643779   -8.275895    5.062103    24   117
   119  N      8.334831    7.357156    5.563585    24   120
   120  N      9.185905    7.724945    6.194057    24   119
   121  N     -6.070358   -4.104997   -0.526148    24   122
   122  N     -5.444066   -3.769745    0.341293    24   121
   123  N     -5.605424    4.338796    3.994401    24   124
   124  N     -4.969081    3.707036    4.667482    24   123
   125  N     -8.307846   -2.307909   -6.534681    24   126
   126  N     -7.995473   -1.779188   -5.596615    24   125
   127  N     -2.368464   -8.032959   -4.489005    24   128
   128  N     -1.749646   -8.705619   -3.839635    24   127
   129  N      2.748656   -7.445685    8.317884    24   130
   130  N      3.617751   -7.673706    8.988531    24   129
   131  N      7.627597   -6.223291    7.701243    24   132
   132  N      7.163162   -6.828184    8.523128    24   131
   133  N     -6.964003   -5.269871   -8.053467    24   134
   134  N     -7.234552   -6.293738   -7.685244    24   133
   135  N      0.198433    7.603491    2.335808    24   136
   136  N      0.837725    8.238494    3.003016    24   135
   137  N      8.650760    4.643612   -4.991406    24   138
   138  N      8.221587    5.180188   -5.877401    24   137
   139  N      1.951767   -6.967024   -0.784911    24   140
   140  N      2.102289   -7.951012   -0.268964    24   139
   141  N     -7.096828    8.158288    3.937651    24   142
   142  N     -6.164341    7.561272    4.114086    24   141
   143  N      8.809010    0.113761    3.795873    24   144
   144  N      9.339987    0.576443    4.668271    24   143
   145  N     -3.011974    9.177848   -7.457772    24   146
   146  N     -3.258198    8.112908   -7.208042    24   145
   147  N      3.846603    2.615493   -0.857053    24   148
   148  N      3.451208    3.101453    0.072783    24   147
   149  N      5.970782   -2.678817   -4.818697    24   150
   150  N      5.031124   -2.181679   -5.175047    24   149
   151  N     -2.501952    0.994572    7.872231    24   152
   152  N     -2.821268    1.330017    6.851153    24   151
   153  N      0.766976    7.760696   -6.993949    24   154
   154  N      0.139351    8.684308   -7.094532    24   153
   155  N      7.697325    0.395556   -5.506546    24   156
   156  N      7.784764    0.780289   -6.556035    24   155
   157  N      8.455187    7.781872   -8.570426    24   158
   158  N      9.063085    8.405353   -7.864154    24   157
   159  N      6.382470    2.356979   -3.386569    24   160
   160  N      6.690541    1.892703   -2.413619    24   159
   161  N     -0.831749   -5.161265   -5.863747    24   162
   162  N      0.053926   -5.223899   -6.548397    24   161
   163  N      6.289627   -6.632698    1.608499    24   164
   164  N      5.508969   -6.243035    2.312648    24   163
   165  N      4.744812   -1.522225   -1.813426    24   166
   166  N      5.573214   -1.591375   -1.061058    24   165
   167  N      3.935732   -1.160196    6.425621    24   168
   168  N      3.339813   -0.595385    7.189138    24   167
   169  N     -3.730834   -5.886882   -8.649885    24   170
   170  N     -2.679480   -5.509500   -8.553321    24   169
   171  N      4.510565    2.710558   -6.117663    24   172
   172  N      5.437878    3.308810   -6.315835    24   171
   173  N      6.110364    5.364993    3.664237    24   174
   174  N      5.515081    5.870656    4.468618    24   173
   175  N     -5.460096   -0.219594   -3.911774    24   176
   176  N     -5.598642   -1.163211   -3.322298    24   175
   177  N      6.934013    1.670483    1.037641    24   178
   178  N      7.971910    1.269577    0.899314    24   177
   179  N      8.652276   -3.761653    1.145015    24   180
   180  N      8.999983   -3.064116    1.951012    24   179
   181  N      5.580777   -5.088909   -1.946665    24   182
   182  N      5.526217   -5.405850   -3.020752    24   181
   183  N      7.790894   -2.962935    5.335497    24   184
   184  N      6.916697   -3.623994    5.099126    24   183
   185  N      7.480675    8.534144    2.027496    24   186
   186  N      7.406224    8.432607    0.913389    24   185
   187  N      4.066380   -5.131461    5.366211    24   188
   188  N      4.329498   -5.278306    6.446162    24   187
   189  N     -7.488029   -0.576381    0.511025    24   190
   190  N     -7.099096   -0.070023   -0.410616    24   189
   191  N      1.149373    5.405983    0.010692    24   192
   192  N      0.385784    4.792562    0.556345    24   191
   193  N      1.278615    6.562092   -3.024193    24   194
   194  N      0.970434    7.220063   -3.878118    24   193
   195  N      0.204921    0.907487    4.243097    24   196
   196  N      0.594972    0.864670    5.293389    24   195
   197  N     -1.790408   -1.795014    2.072200    24   198
   198  N     -1.461953   -2.795374    2.457544    24   197
   199  N     -2.836548    8.296420    3.662180    24   200
   200  N     -3.335538    8.949257    4.425005    24   199
   201  N     -6.260172   -5.793300    7.140336    24   202
   202  N     -7.231011   -5.259962    6.966805    24   201
   203  N      2.746348    5.384079    2.846290    24   204
   204  N      2.701489    4.328080    3.220381    24   203
   205  N      4.652782    8.590817   -6.665783    24   206
   206  N      5.725468    8.297692   -6.809005    24   205
   207  N     -8.366144    8.062962   -2.492694    24   208
   208  N     -9.301719    7.445240   -2.507105    24   207
   209  N     -6.329929    0.071395    6.686945    24   210
   210  N     -6.192804    1.182196    6.620556    24   209
   211  N      0.950224   -3.741052    6.962618    24   212
   212  N      1.049688   -4.390014    6.053748    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -4.317220    0.618583    2.685642    24     2
     2  N     -5.150290    0.053781    3.179687    24     1
     3  N     -5.527105    5.736099   -4.334948    24     4
     4  N     -5.969668    4.821447   -3.860986    24     3
     5  N     -0.327641   -7.835971    6.757042    24     6
     6  N      0.146595   -8.239871    7.689272    24     5
     7  N     -8.354529   -8.009794   -0.635983    24     8
     8  N     -7.954864   -8.937695   -1.122148    24     7
     9  N      2.806961    1.936171   -8.276697    24    10
    10  N      2.838199    0.843940   -8.527983    24     9
    11  N     -4.974988    7.003000    8.091715    24    12
    12  N     -3.895373    6.858306    7.826041    24    11
    13  N      2.557306   -7.601176   -4.203027    24    14
    14  N      3.449354   -7.389497   -3.557634    24    13
    15  N     -6.014834    3.759575   -8.419015    24    16
    16  N     -4.991986    4.056999   -8.069144    24    15
    17  N     -4.458969   -3.942742   -4.090468    24    18
    18  N     -4.109729   -4.632612   -4.902380    24    17
    19  N      5.889118    6.172539    9.201674    24    20
    20  N      6.309902    5.332006    8.590501    24    19
    21  N     -2.313365    6.564298   -6.463787    24    22
    22  N     -2.414527    5.721303   -5.731521    24    21
    23  N     -3.769847    0.445441   -4.858483    24    24
    24  N     -3.592480    1.018229   -5.805872    24    23
    25  N      1.597396   -0.779270   -0.071484    24    26
    26  N      0.614721   -0.866113   -0.604304    24    25
    27  N     -0.998005   -2.534496   -4.291272    24    28
    28  N     -1.406619   -1.681810   -4.893808    24    27
    29  N      2.369300    1.078713    2.424935    24    30
    30  N      3.487329    1.094257    2.507745    24    29
    31  N      3.597053    6.343760   -2.969872    24    32
    32  N      3.965242    5.324349   -3.256798    24    31
    33  N      1.967575   -2.348704    2.926775    24    34
    34  N      1.783733   -2.561928    4.012053    24    33
    35  N     -7.116889    3.159589   -0.621675    24    36
    36  N     -7.124251    2.043311   -0.517001    24    35
    37  N     -6.027530    6.472561    0.175898    24    38
    38  N     -6.912008    6.827073    0.766753    24    37
    39  N     -5.008741   -0.222107    8.977172    24    40
    40  N     -4.735782    0.859341    8.862921    24    39
    41  N     -5.673115   -8.640566   -3.282532    24    42
    42  N     -6.429059   -7.929634   -3.707049    24    41
    43  N      7.965331   -4.251957   -6.647126    24    44
    44  N      7.917164   -5.307375   -7.022443    24    43
    45  N     -8.185699   -1.267807    7.563978    24    46
    46  N     -8.964021   -2.014453    7.257668    24    45
    47  N      6.133367   -9.114309   -0.938222    24    48
    48  N      5.855446   -8.132375   -0.473836    24    47
    49  N      6.383587   -3.001680   -9.188757    24    50
    50  N      5.459458   -2.542306   -8.750522    24    49
    51  N     -2.127367   -4.552901   -1.667588    24    52
    52  N     -1.329639   -3.907439   -1.215817    24    51
    53  N      7.938887   -6.789284   -4.081650    24    54
    54  N      8.561763   -7.700182   -3.883209    24    53
    55  N      3.258467    3.895611    6.835575    24    56
    56  N      3.270951    2.821901    7.158191    24    55
    57  N     -7.205938    4.891045    6.662463    24    58
    58  N     -7.801950    5.118224    7.584552    24    57
    59  N      2.605367    0.513499   -5.159151    24    60
    60  N      2.084088   -0.152738   -4.423293    24    59
    61  N     -1.320167   -7.134910    0.816132    24    62
    62  N     -0.943693   -7.771794   -0.026327    24    61
    63  N      7.814601    5.649040    0.663298    24    64
    64  N      8.331235    4.986627   -0.079257    24    63
    65  N     -5.390435   -3.122547    4.286881    24    66
    66  N     -6.396305   -2.938791    3.826935    24    65
    67  N     -2.817538    7.796800   -1.626621    24    68
    68  N     -3.121786    7.869360   -2.703310    24    67
    69  N     -8.900750    3.529132    3.675114    24    70
    70  N     -8.261409    3.816319    2.799981    24    69
    71  N     -0.830262    0.350893   -8.077261    24    72
    72  N     -1.612285   -0.442235   -7.948888    24    71
    73  N      1.992512   -2.360871   -7.117800    24    74
    74  N      1.670994   -2.475137   -8.185817    24    73
    75  N     -5.455529   -7.895517    1.708358    24    76
    76  N     -5.178382   -8.928746    2.044089    24    75
    77  N      1.626897   -4.658026   -3.230403    24    78
    78  N      2.372598   -3.846809   -3.023169    24    77
    79  N      1.522937   -6.220861    4.873497    24    80
    80  N      1.369574   -6.010172    3.783002    24    79
    81  N     -2.634295   -6.422202    3.878563    24    82
    82  N     -2.643722   -5.768899    4.789715    24    81
    83  N      3.851599    4.978126   -6.800608    24    84
    84  N      2.876643    5.501397   -6.619673    24    83
    85  N      2.157351    7.142482    8.791004    24    86
    86  N      2.439456    7.826581    7.948677    24    85
    87  N     -8.362829    1.647048   -6.406472    24    88
    88  N     -7.459886    2.194565   -6.029631    24    87
    89  N     -3.528480    0.035521   -0.740156    24    90
    90  N     -2.676950   -0.087093   -1.459151    24    89
    91  N      9.645191   -3.128128   -3.661333    24    92
    92  N      8.588323   -2.842789   -3.419051    24    91
    93  N     -0.214267    5.820783    6.194393    24    94
    94  N     -1.134269    5.313337    5.803004    24    93
    95  N     -7.934240    7.751602   -6.077544    24    96
    96  N     -7.503876    6.982575   -6.770707    24    95
    97  N      6.397000    1.349849    8.095889    24    98
    98  N      7.017877    2.199584    7.709171    24    97
    99  N     -2.706758   -1.041064    5.354258    24   100
   100  N     -2.196607   -1.081718    6.351847    24    99
   101  N     -2.125195    3.506680   -2.322031    24   102
   102  N     -2.557204    2.754443   -3.032380    24   101
   103  N     -8.114444    8.389170    8.900781    24   104
   104  N     -7.703463    9.150841    8.188011    24   103
   105  N      0.424137    3.639121   -4.909056    24   106
   106  N      1.137787    3.342564   -4.096747    24   105
   107  N      5.451944   -1.942755    3.741382    24   108
   108  N      6.070840   -2.578363    3.055773    24   107
   109  N      4.412546    6.603630    0.590785    24   110
   110  N      3.616700    7.315045    0.933722    24   109
   111  N     -7.543045   -6.840627    4.955027    24   112
   112  N     -8.387563   -7.122750    5.636410    24   111
   113  N     -0.910688    3.247319    1.349606    24   114
   114  N     -1.558237    2.335111    1.274462    24   113
   115  N     -0.479970    4.099377   -8.224910    24   116
   116  N     -0.441446    3.596463   -9.226250    24   115
   117  N      3.493859    8.535745    4.730087    24   118
   118  N      3.733224    9.594848    4.450634    24   117
   119  N      6.989599    6.838096    6.145917    24   120
   120  N      7.750809    7.633853    5.935154    24   119
   121  N     -5.025605   -3.692187    0.529491    24   122
   122  N     -5.396289   -4.231911   -0.380664    24   121
   123  N     -3.820669    4.947255    2.793001    24   124
   124  N     -4.603455    4.200249    3.086801    24   123
   125  N     -7.036299   -2.942269   -7.004284    24   126
   126  N     -6.838725   -1.896350   -6.651995    24   125
   127  N     -2.433271   -7.617583   -4.787956    24   128
   128  N     -1.477625   -7.630797   -4.201735    24   127
   129  N      3.225790   -7.148180   -9.343774    24   130
   130  N      3.592798   -6.424066   -8.570434    24   129
   131  N      6.700999   -6.884499    7.564390    24   132
   132  N      6.588838   -7.443762    6.599126    24   131
   133  N     -7.305285   -6.292221   -6.893989    24   134
   134  N     -7.642991   -6.836914   -7.813964    24   133
   135  N      0.462078    8.950175    2.990128    24   136
   136  N      0.291897    8.452495    3.980301    24   135
   137  N      8.415527    4.598767   -6.742749    24   138
   138  N      7.663483    5.400069   -6.520407    24   137
   139  N      2.037761   -6.046071    0.184526    24   140
   140  N      2.510951   -7.061206    0.236320    24   139
   141  N     -7.303093    8.141604    4.809383    24   142
   142  N     -6.812878    7.165190    4.557601    24   141
   143  N     -8.688660   -0.197212    3.898951    24   144
   144  N     -9.457856   -0.996198    3.734488    24   143
   145  N     -5.018549   -8.510312   -6.815054    24   146
   146  N     -4.272168   -8.929562   -7.539095    24   145
   147  N      3.506850    1.982211   -1.749431    24   148
   148  N      4.386927    2.213674   -1.094466    24   147
   149  N      5.348195   -1.836238   -5.295756    24   150
   150  N      5.388854   -1.701299   -4.183448    24   149
   151  N     -3.997913    3.516591    7.004009    24   152
   152  N     -3.141672    2.820706    7.203213    24   151
   153  N      0.814373   -8.777234   -7.099659    24   154
   154  N     -0.262104   -8.886549   -7.393494    24   153
   155  N      7.097548    0.014009   -7.074432    24   156
   156  N      7.951179   -0.337477   -7.710720    24   155
   157  N      7.471251   -8.963192   -8.116007    24   158
   158  N      7.624935   -8.532008   -7.092508    24   157
   159  N      8.123187    2.714014   -2.917342    24   160
   160  N      8.797055    1.929532   -3.350450    24   159
   161  N     -0.546314   -4.861391   -6.907045    24   162
   162  N      0.457754   -5.048475   -6.444513    24   161
   163  N      5.605373   -6.547990    2.939204    24   164
   164  N      5.122867   -5.599809    2.585324    24   163
   165  N      5.007379   -1.295036   -0.512070    24   166
   166  N      6.066992   -1.318578   -0.877793    24   165
   167  N      3.615522    0.195567    5.771242    24   168
   168  N      4.044944   -0.673029    6.335357    24   167
   169  N     -3.524673   -5.563558   -8.887012    24   170
   170  N     -3.397218   -4.451549   -8.821601    24   169
   171  N      5.350431    2.097202   -4.919889    24   172
   172  N      6.060625    2.692456   -5.551066    24   171
   173  N      6.245197    4.647517    4.263412    24   174
   174  N      6.044799    3.565828    4.479922    24   173
   175  N     -6.053205   -1.075864   -2.770696    24   176
   176  N     -6.454596   -0.054333   -2.999717    24   175
   177  N      7.718391    1.828395    1.580551    24   178
   178  N      6.989383    1.021975    1.306100    24   177
   179  N      9.025993   -4.107484   -0.017589    24   180
   180  N      8.671559   -5.045871    0.483306    24   179
   181  N      5.254213   -4.851542   -1.193778    24   182
   182  N      6.207290   -4.903585   -1.782019    24   181
   183  N      7.659159   -4.913712    4.860571    24   184
   184  N      8.416960   -4.090589    4.933347    24   183
   185  N      7.892870    9.278223    2.274482    24   186
   186  N      8.244695    8.329483    2.757391    24   185
   187  N      4.045111   -4.913341    6.385553    24   188
   188  N      4.756026   -4.056844    6.520091    24   187
   189  N     -8.024995   -0.875230    0.467100    24   190
   190  N     -8.349340   -1.160901   -0.567444    24   189
   191  N     -0.049095    6.330806   -0.982202    24   192
   192  N      0.886881    5.902841   -0.537361    24   191
   193  N      0.170240    7.945205   -4.416084    24   194
   194  N      0.615910    6.934156   -4.225700    24   193
   195  N      0.404136    0.916376    7.007970    24   196
   196  N      0.519302    1.351313    5.981006    24   195
   197  N     -1.408332   -1.113439    2.066537    24   198
   198  N     -1.790632   -2.111263    1.727002    24   197
   199  N     -3.532005    8.561217    4.749263    24   200
   200  N     -2.603556    7.932670    4.748764    24   199
   201  N     -6.352205   -3.957555    7.962211    24   202
   202  N     -6.616173   -4.947125    7.505963    24   201
   203  N      2.391640    5.416406    3.428897    24   204
   204  N      2.613171    4.318605    3.375558    24   203
   205  N      4.566906    8.762609   -6.858393    24   206
   206  N      4.540538    8.047730   -5.995061    24   205
   207  N      7.856462    5.783426   -2.921623    24   208
   208  N      8.862219    6.095196   -3.306774    24   207
   209  N     -6.604497    1.687841    5.977221    24   210
   210  N     -7.699734    1.701107    6.216742    24   209
   211  N     -0.050773   -4.472949    7.649268    24   212
   212  N     -0.773593   -3.939349    6.978529    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.145482    0.992872    3.146912    24     2
     2  N     -5.271278    0.485307    2.155125    24     1
     3  N     -6.427337    3.605213   -4.027926    24     4
     4  N     -6.478334    4.665542   -4.388748    24     3
     5  N     -2.732096   -7.876461    7.280680    24     6
     6  N     -1.875220   -7.388436    6.747121    24     5
     7  N     -8.456566   -8.010376   -1.555291    24     8
     8  N     -7.718435   -8.533809   -0.893273    24     7
     9  N      3.440730    1.444959   -8.672456    24    10
    10  N      3.480268    2.320875   -7.973672    24     9
    11  N     -3.506371    5.611079    7.338673    24    12
    12  N     -4.359598    6.336721    7.389025    24    11
    13  N      2.973087   -9.009002   -2.477942    24    14
    14  N      3.355964   -8.503688   -1.553198    24    13
    15  N     -5.351279    4.716455   -8.144364    24    16
    16  N     -4.851951    3.906597   -7.551162    24    15
    17  N     -5.179256   -3.783618   -3.764709    24    18
    18  N     -5.838506   -4.572886   -4.211402    24    17
    19  N      5.683196    6.119766   -8.014832    24    20
    20  N      5.739603    5.806908   -9.090019    24    19
    21  N     -1.215246    6.488485   -6.661248    24    22
    22  N     -2.314936    6.295418   -6.558796    24    21
    23  N     -2.727358    2.863488   -5.345271    24    24
    24  N     -2.131596    1.929508   -5.518011    24    23
    25  N      1.171983   -1.519573   -1.188481    24    26
    26  N      1.086521   -1.982936   -2.205870    24    25
    27  N     -1.845727   -2.209606   -5.119733    24    28
    28  N     -1.939454   -2.794375   -4.167709    24    27
    29  N      3.042656    1.893992    1.104638    24    30
    30  N      2.745868    1.177477    1.914335    24    29
    31  N      4.720992    4.776937   -2.663932    24    32
    32  N      5.416985    5.439695   -2.086494    24    31
    33  N      0.974948   -1.915177    2.546886    24    34
    34  N      1.101719   -1.325469    3.492012    24    33
    35  N     -8.194703    2.342635   -0.269182    24    36
    36  N     -8.031536    2.814299   -1.273174    24    35
    37  N     -6.308810    5.732792   -0.692774    24    38
    38  N     -6.254890    5.702531    0.426720    24    37
    39  N     -3.982925   -1.216781   -7.667479    24    40
    40  N     -3.726368   -0.135651   -7.517731    24    39
    41  N     -4.653256   -8.060501   -4.254455    24    42
    42  N     -5.570679   -7.834042   -3.651013    24    41
    43  N      7.618150   -3.690955   -5.403117    24    44
    44  N      6.709833   -3.966544   -5.999859    24    43
    45  N     -8.411882   -2.053434    7.839822    24    46
    46  N     -9.241915   -1.394480    8.205766    24    45
    47  N      6.521566   -9.557045   -1.240753    24    48
    48  N      6.735588   -8.685101   -0.569191    24    47
    49  N      6.181194   -4.526228    8.444244    24    50
    50  N      7.209181   -4.136619    8.223933    24    49
    51  N     -2.511869   -3.135943   -1.023422    24    52
    52  N     -2.653342   -4.224032   -1.253936    24    51
    53  N      8.308339   -7.498897   -5.190162    24    54
    54  N      7.225637   -7.336049   -4.948651    24    53
    55  N      3.654671    3.956635    7.028268    24    56
    56  N      2.647523    4.382257    7.276436    24    55
    57  N     -8.242086    5.931945    8.322229    24    58
    58  N     -8.163765    4.875014    7.956373    24    57
    59  N      1.690301    0.605851   -5.398823    24    60
    60  N      1.146002    0.382903   -4.444296    24    59
    61  N     -2.798265   -6.384744    1.895429    24    62
    62  N     -2.054918   -7.103983    1.462737    24    61
    63  N      7.943111    6.408414    1.175542    24    64
    64  N      8.322996    6.311665    0.125105    24    63
    65  N     -6.181935   -2.786251    3.871143    24    66
    66  N     -6.981539   -2.644066    4.644129    24    65
    67  N     -2.469833    8.264395   -1.258898    24    68
    68  N     -1.803871    7.551878   -1.811985    24    67
    69  N     -8.752346    3.329212    3.324332    24    70
    70  N     -7.944077    4.020788    2.970053    24    69
    71  N     -0.085314    0.247316   -8.448283    24    72
    72  N     -0.487348   -0.765482   -8.184278    24    71
    73  N      3.971460   -1.678047   -7.644000    24    74
    74  N      3.091941   -1.795194   -8.329430    24    73
    75  N     -5.378910    8.497104    1.184007    24    76
    76  N     -5.010967    9.556102    1.199115    24    75
    77  N      1.462601   -5.149782   -3.872712    24    78
    78  N      2.493044   -4.732971   -3.725930    24    77
    79  N      1.176468   -6.783975    4.274446    24    80
    80  N      0.074296   -6.917149    4.117694    24    79
    81  N     -3.102986   -4.166403    5.342077    24    82
    82  N     -3.779018   -5.044409    5.171266    24    81
    83  N      1.670824    4.374710   -6.293020    24    84
    84  N      2.249495    4.281754   -5.337202    24    83
    85  N      3.824854   -9.437373    8.174468    24    86
    86  N      3.807714   -8.322507    8.056702    24    85
    87  N     -7.189100    0.846365   -6.269610    24    88
    88  N     -7.090327    1.258256   -7.307723    24    87
    89  N     -2.058682    0.290949   -1.371573    24    90
    90  N     -2.413078    0.244134   -2.434259    24    89
    91  N     -9.188558   -4.393347   -2.618212    24    92
    92  N     -8.472252   -3.818832   -1.974841    24    91
    93  N      0.142723    7.875851    6.370949    24    94
    94  N     -0.526041    6.982982    6.483329    24    93
    95  N     -7.134527    8.719179   -6.101124    24    96
    96  N     -7.592698    7.963346   -6.790969    24    95
    97  N      6.882260    2.054857    7.152560    24    98
    98  N      7.338584    2.919502    6.603700    24    97
    99  N     -3.113944   -0.872621    6.017215    24   100
   100  N     -3.923015   -1.403934    6.583078    24    99
   101  N     -3.128310    4.053207   -0.767728    24   102
   102  N     -2.638077    4.075016    0.240382    24   101
   103  N     -7.398783   -8.589163    6.941303    24   104
   104  N     -7.535212   -8.817520    8.030490    24   103
   105  N     -0.131997    2.369235   -2.569791    24   106
   106  N     -0.057153    3.249109   -3.260666    24   105
   107  N      6.115701   -1.269032    2.732070    24   108
   108  N      5.661433   -0.459929    3.361420    24   107
   109  N      3.459337    8.184188    1.452203    24   110
   110  N      3.903590    7.195947    1.740484    24   109
   111  N     -6.892340   -6.193937    4.345910    24   112
   112  N     -6.334908   -7.063045    3.908865    24   111
   113  N     -1.850942    1.043174    2.451582    24   114
   114  N     -0.770894    0.811110    2.259923    24   113
   115  N     -0.641910    3.564026    8.313596    24   116
   116  N     -0.683455    3.874483    9.390155    24   115
   117  N      3.300817    6.939149    5.598803    24   118
   118  N      3.063989    7.834704    4.967152    24   117
   119  N      7.169420    6.529434    6.191662    24   120
   120  N      6.765729    7.307027    5.492038    24   119
   121  N     -5.987879   -5.458903   -0.134772    24   122
   122  N     -5.401458   -6.093178   -0.849541    24   121
   123  N     -4.469008    4.440835    2.891069    24   124
   124  N     -4.492389    4.609057    3.999331    24   123
   125  N     -7.901261   -2.992105   -7.100131    24   126
   126  N     -7.755530   -2.461213   -6.123399    24   125
   127  N     -1.746692   -6.231490   -4.810115    24   128
   128  N     -1.701164   -6.645438   -3.769123    24   127
   129  N      4.282662   -6.447634   -7.416522    24   130
   130  N      3.482330   -5.664998   -7.352971    24   129
   131  N      7.474597   -6.987628    5.705095    24   132
   132  N      7.788058   -8.012501    6.034440    24   131
   133  N     -8.131421   -6.082073   -7.453249    24   134
   134  N     -7.108457   -6.252517   -7.027124    24   133
   135  N      0.151291    8.300129    2.103637    24   136
   136  N     -0.591270    7.924699    1.352142    24   135
   137  N      8.729801    4.727919   -6.942692    24   138
   138  N      8.819572    4.417673   -5.869016    24   137
   139  N      1.639358   -5.851746    0.085986    24   140
   140  N      2.512280   -5.971514    0.779350    24   139
   141  N     -7.714513    7.185290    4.527063    24   142
   142  N     -7.065483    7.688942    3.764053    24   141
   143  N      9.276734   -0.147268    3.753594    24   144
   144  N      8.834723    0.275637    4.693204    24   143
   145  N     -4.241789    8.814783   -7.916142    24   146
   146  N     -3.196102    9.152171   -7.692985    24   145
   147  N      3.013753    1.577501   -2.171830    24   148
   148  N      4.106276    1.797497   -2.049011    24   147
   149  N      4.831125   -2.079481   -4.001016    24   150
   150  N      3.988010   -1.370015   -4.208150    24   149
   151  N     -1.765323    3.127365    5.422384    24   152
   152  N     -2.577374    2.357393    5.491687    24   151
   153  N      1.068742   -8.805051   -7.184239    24   154
   154  N      0.963588   -8.718113   -8.297107    24   153
   155  N      7.197675   -0.851471   -6.896094    24   156
   156  N      7.626705    0.184396   -6.897777    24   155
   157  N      7.499016   -8.302291   -8.586707    24   158
   158  N      7.007940   -9.291009   -8.782588    24   157
   159  N      8.432765    0.925086   -3.826847    24   160
   160  N      7.775869    0.464959   -3.043353    24   159
   161  N      0.589413   -3.991795   -8.026713    24   162
   162  N      0.682330   -3.910155   -6.912356    24   161
   163  N      4.611391   -7.997500    3.959920    24   164
   164  N      4.630159   -7.077348    3.319562    24   163
   165  N      5.724980   -1.561973   -0.894111    24   166
   166  N      6.835293   -1.453409   -1.005949    24   165
   167  N      4.126750   -0.098343    5.998834    24   168
   168  N      4.138394   -1.006791    6.655854    24   167
   169  N     -2.609053   -4.728687   -9.035804    24   170
   170  N     -2.773484   -4.277316   -8.022732    24   169
   171  N      5.520792    3.009984   -5.195644    24   172
   172  N      5.040201    2.009618   -5.354981    24   171
   173  N      5.077382    3.908452    3.653949    24   174
   174  N      5.599147    4.743997    4.189406    24   173
   175  N     -6.605132    0.306535   -2.651618    24   176
   176  N     -6.693422   -0.802144   -2.793488    24   175
   177  N      6.587428    2.544753    0.806469    24   178
   178  N      6.760663    1.464681    1.052484    24   177
   179  N      8.173895   -5.606052    0.580053    24   180
   180  N      7.567463   -4.663773    0.542123    24   179
   181  N      5.278286   -5.072128   -1.632965    24   182
   182  N      5.857869   -4.817189   -2.558266    24   181
   183  N      7.880068   -3.683411    4.590642    24   184
   184  N      8.434528   -4.285374    3.824284    24   183
   185  N      8.561205   -7.918258    2.949576    24   186
   186  N      8.768269   -8.498383    2.012736    24   185
   187  N      4.613126   -3.570173    4.362101    24   188
   188  N      4.665260   -4.394518    5.120274    24   187
   189  N     -8.305490   -2.288500    1.256644    24   190
   190  N     -7.668178   -1.735354    0.518435    24   189
   191  N      1.215292    4.611572   -0.972133    24   192
   192  N      2.054280    5.209719   -0.530082    24   191
   193  N      1.119600    7.325811   -4.232135    24   194
   194  N      1.032891    6.585953   -3.394173    24   193
   195  N      1.065427    1.270373    6.052839    24   196
   196  N      0.343095    0.429252    6.219687    24   195
   197  N     -2.625584   -3.151553    2.046201    24   198
   198  N     -2.602916   -2.078133    2.369228    24   197
   199  N     -3.828177    7.848782    4.502706    24   200
   200  N     -2.870225    7.992378    3.938086    24   199
   201  N     -5.887325   -4.298666    7.270443    24   202
   202  N     -6.091322   -4.526494    8.349132    24   201
   203  N      1.801139    4.426354    3.796259    24   204
   204  N      0.782466    4.194656    3.389182    24   203
   205  N      4.255650    8.853524   -5.837881    24   206
   206  N      4.133426    8.097922   -5.018603    24   205
   207  N      8.145227    7.457970   -3.749354    24   208
   208  N      8.974210    6.791476   -3.394868    24   207
   209  N     -7.129009    2.060381    6.548598    24   210
   210  N     -6.478285    1.793228    7.421683    24   209
   211  N      0.627865   -3.296062    7.092293    24   212
   212  N      1.578975   -3.327177    6.499410    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -4.817286    1.695485    2.305657    24     2
     2  N     -5.809536    2.097941    2.638157    24     1
     3  N     -3.911493    3.564920   -4.256673    24     4
     4  N     -4.503290    4.476813   -4.531113    24     3
     5  N     -3.043262   -6.987875    6.476443    24     6
     6  N     -2.414026   -7.713517    7.054884    24     5
     7  N     -8.509585   -8.164753   -0.942794    24     8
     8  N     -8.222375   -9.097643   -1.494444    24     7
     9  N      2.576527    1.265709   -7.835795    24    10
    10  N      1.838078    1.568070   -8.623425    24     9
    11  N     -3.604055    7.447694    6.979396    24    12
    12  N     -4.504643    7.031996    7.502104    24    11
    13  N      1.093578   -8.217155   -3.010158    24    14
    14  N      0.948694   -7.117203   -3.172031    24    13
    15  N     -4.986151    4.306016   -8.477459    24    16
    16  N     -3.887733    4.320219   -8.253041    24    15
    17  N     -4.931318   -5.444947   -5.122165    24    18
    18  N     -5.414244   -4.436113   -5.043903    24    17
    19  N      5.586026    5.404072   -8.920131    24    20
    20  N      4.772980    4.746517   -8.515573    24    19
    21  N     -2.575801    7.050671   -5.048269    24    22
    22  N     -2.391738    6.500008   -6.007425    24    21
    23  N     -1.844100    1.030832   -5.112189    24    24
    24  N     -1.129365    1.864560   -5.338337    24    23
    25  N      1.148681   -1.720528   -0.744616    24    26
    26  N      0.353465   -1.611089    0.038163    24    25
    27  N     -1.548065   -3.418812   -5.143832    24    28
    28  N     -2.267596   -3.408271   -4.284034    24    27
    29  N      2.286817    1.088803    1.609603    24    30
    30  N      2.072042    2.037916    2.166509    24    29
    31  N      5.166282    4.869305   -2.176825    24    32
    32  N      4.648501    5.646092   -2.797787    24    31
    33  N      2.047116   -2.238223    4.410702    24    34
    34  N      1.682120   -2.285545    3.351632    24    33
    35  N      8.503605    1.136572   -0.848613    24    36
    36  N      9.315918    1.736337   -0.361253    24    35
    37  N     -6.583376    5.588300    0.014599    24    38
    38  N     -7.393105    6.309660   -0.270127    24    37
    39  N     -3.620061   -1.370881   -6.661030    24    40
    40  N     -4.395929   -0.778446   -7.212518    24    39
    41  N     -4.923669   -8.873180   -3.085495    24    42
    42  N     -5.644147   -8.048749   -3.326983    24    41
    43  N      7.143497   -4.248287   -6.054521    24    44
    44  N      7.481726   -4.089326   -4.997439    24    43
    45  N      9.364815   -1.156025    7.473809    24    46
    46  N      8.713994   -1.883631    8.025272    24    45
    47  N      6.606189    9.171966   -0.711034    24    48
    48  N      5.495762    9.083744   -0.838538    24    47
    49  N      7.878761   -5.292514    8.535566    24    50
    50  N      8.786838   -5.770103    8.987665    24    49
    51  N     -3.168915   -5.406641   -1.800157    24    52
    52  N     -4.176660   -4.945635   -1.970488    24    51
    53  N      7.557853   -8.655126   -3.981712    24    54
    54  N      8.101584   -7.712751   -3.710835    24    53
    55  N      3.468084    3.557924    6.936222    24    56
    56  N      2.353355    3.535267    6.818088    24    55
    57  N     -8.052287    5.473398    8.682959    24    58
    58  N     -7.666737    5.538341    7.632140    24    57
    59  N      1.068445   -0.741967   -5.261864    24    60
    60  N      1.145863   -1.249364   -6.258681    24    59
    61  N     -1.794745   -6.628293    2.557387    24    62
    62  N     -2.379811   -6.809003    1.618168    24    61
    63  N      6.754916    5.332948    1.105191    24    64
    64  N      7.310847    6.079619    0.480281    24    63
    65  N     -7.055430   -1.312073    4.819353    24    66
    66  N     -5.992671   -1.148514    4.501735    24    65
    67  N     -2.141874   -9.039754   -0.746232    24    68
    68  N     -2.156873   -8.356072   -1.634739    24    67
    69  N     -9.153332    5.912976    3.562733    24    70
    70  N     -9.050564    5.092645    4.320087    24    69
    71  N      1.699373   -1.399018    8.413086    24    72
    72  N      1.067975   -1.968650    7.682369    24    71
    73  N      5.040445   -2.587823   -8.648219    24    74
    74  N      3.997533   -2.973300   -8.792560    24    73
    75  N     -5.743001   -9.463436    0.901132    24    76
    76  N     -5.345678   -8.438050    0.682488    24    75
    77  N      2.884526   -3.826235   -4.432146    24    78
    78  N      1.860408   -4.268188   -4.318348    24    77
    79  N      1.437369   -8.387118    4.333295    24    80
    80  N      0.321790   -8.468188    4.410739    24    79
    81  N     -2.890625   -3.980764    5.132563    24    82
    82  N     -2.459383   -3.099670    5.675512    24    81
    83  N      1.530572    5.756269   -6.609984    24    84
    84  N      1.495779    4.635987   -6.580895    24    83
    85  N      4.458781   -7.773398    8.112258    24    86
    86  N      3.409385   -8.015350    7.800303    24    85
    87  N     -7.690123    1.742814   -7.768514    24    88
    88  N     -8.138153    1.034094   -8.512876    24    87
    89  N     -2.755303   -1.540314   -1.670407    24    90
    90  N     -3.233764   -0.580321   -1.996869    24    89
    91  N     -7.676125   -5.318067   -2.806057    24    92
    92  N     -8.055517   -4.284853   -3.019639    24    91
    93  N     -0.635938    8.173321    7.921043    24    94
    94  N      0.409193    8.406174    8.253563    24    93
    95  N     -6.937443    7.335008   -5.773850    24    96
    96  N     -6.795669    7.120880   -6.865243    24    95
    97  N      7.046309    3.780550    6.360607    24    98
    98  N      7.299526    3.603976    7.438472    24    97
    99  N     -4.174599   -0.363590    6.997601    24   100
   100  N     -3.748566   -0.139638    8.010237    24    99
   101  N     -2.954777    5.394411   -0.154283    24   102
   102  N     -2.174761    4.997044    0.546261    24   101
   103  N     -5.954345   -7.884239    8.179873    24   104
   104  N     -6.646616   -8.352710    8.927124    24   103
   105  N     -0.624739    1.554304   -1.822514    24   106
   106  N     -1.007506    2.579820   -2.065195    24   105
   107  N      6.251538   -1.624317    2.411729    24   108
   108  N      5.360980   -2.119761    2.879202    24   107
   109  N      5.140613    8.154221    2.865898    24   110
   110  N      4.207139    8.334040    2.271441    24   109
   111  N     -5.865977   -5.757198    4.119634    24   112
   112  N     -5.164634   -6.557248    3.765901    24   111
   113  N     -1.052213    1.186122    1.639491    24   114
   114  N     -1.557562    0.582237    2.437637    24   113
   115  N     -0.327694    3.849371    8.628812    24   116
   116  N     -0.926612    4.443946    7.890662    24   115
   117  N      3.078476    7.650361    5.800643    24   118
   118  N      2.727990    6.775358    6.407784    24   117
   119  N      6.757419    7.678042    6.243709    24   120
   120  N      7.357520    8.192332    5.448426    24   119
   121  N     -6.349980   -4.593252    0.065108    24   122
   122  N     -6.479662   -5.610814    0.517701    24   121
   123  N     -4.465183    5.578799    3.107200    24   124
   124  N     -5.585302    5.551980    3.065904    24   123
   125  N     -8.373611   -2.751153   -6.504241    24   126
   126  N     -7.855171   -1.796904   -6.783023    24   125
   127  N     -1.463660   -6.636773   -5.476702    24   128
   128  N     -1.215933   -7.727593   -5.553062    24   127
   129  N      5.212099   -7.810203   -6.396374    24   130
   130  N      5.710492   -6.931983   -6.883634    24   129
   131  N     -9.500516   -7.204120    5.919541    24   132
   132  N     -8.601610   -7.081434    5.260749    24   131
   133  N     -8.478817   -7.126059   -6.547984    24   134
   134  N     -7.748197   -6.280151   -6.635865    24   133
   135  N      0.691063    9.138755    0.827367    24   136
   136  N      0.753155    8.041600    1.049822    24   135
   137  N      8.408432    5.309380   -6.623224    24   138
   138  N      8.349234    4.372948   -7.236967    24   137
   139  N      2.668595   -5.432779    0.241488    24   140
   140  N      2.279182   -5.920575    1.172887    24   139
   141  N     -7.094219    8.127684    5.300260    24   142
   142  N     -6.564679    8.577019    4.420047    24   141
   143  N      7.703052    0.147681    4.872368    24   144
   144  N      7.802394    0.882990    4.031807    24   143
   145  N     -3.790712   -9.179041   -7.478962    24   146
   146  N     -4.216697   -8.632280   -6.597668    24   145
   147  N      2.826817    1.566576   -2.546360    24   148
   148  N      3.832302    1.130346   -2.782563    24   147
   149  N      6.331138   -1.014797   -4.814519    24   150
   150  N      5.366079   -0.649137   -5.252746    24   149
   151  N     -3.261574    3.237081    5.202118    24   152
   152  N     -3.804253    3.266373    6.182796    24   151
   153  N      1.224806   -9.429672   -6.832973    24   154
   154  N      1.980651   -8.698755   -7.222266    24   153
   155  N      5.623432    1.482240   -8.898685    24   156
   156  N      6.311311    0.605552   -9.022510    24   155
   157  N      7.472872    8.632160   -8.033467    24   158
   158  N      8.550070    8.488117   -8.309118    24   157
   159  N     -9.287997    1.080428   -4.907965    24   160
   160  N     -8.764461    1.903653   -4.355422    24   159
   161  N      1.385725   -5.188719   -8.021480    24   162
   162  N      0.977553   -4.235968   -7.593988    24   161
   163  N      5.248542   -6.195767    3.712196    24   164
   164  N      5.897935   -6.962211    4.210134    24   163
   165  N      4.968974   -1.411704   -0.932979    24   166
   166  N      6.001621   -1.252809   -1.339773    24   165
   167  N      4.023807    0.590133    5.511398    24   168
   168  N      4.375505   -0.327345    6.051427    24   167
   169  N     -2.223949   -5.106713   -8.369690    24   170
   170  N     -2.026173   -4.502287   -9.293076    24   169
   171  N      5.764630    2.404792   -5.086251    24   172
   172  N      5.025585    3.244585   -5.011104    24   171
   173  N      3.776077    5.031948    3.930252    24   174
   174  N      4.823929    4.640020    4.004317    24   173
   175  N     -6.224092   -0.188623   -3.823310    24   176
   176  N     -6.170112   -1.198162   -4.308086    24   175
   177  N      5.349481    2.229295   -0.067451    24   178
   178  N      5.613443    1.729898    0.901062    24   177
   179  N      8.423769   -5.373803    1.486034    24   180
   180  N      8.152314   -5.302656    0.400521    24   179
   181  N      5.128179   -5.754940   -2.677298    24   182
   182  N      5.447225   -5.991123   -1.628718    24   181
   183  N      9.121450   -3.925754    5.229650    24   184
   184  N      8.319219   -3.924881    4.446378    24   183
   185  N      9.092534   -9.125332    2.557350    24   186
   186  N      8.093375   -8.702452    2.274606    24   185
   187  N      5.038956   -4.636758    6.862242    24   188
   188  N      5.083889   -3.867474    6.047826    24   187
   189  N     -8.621418   -2.332805   -0.051888    24   190
   190  N     -8.651355   -1.785231    0.926046    24   189
   191  N      1.864677    4.929623    0.324939    24   192
   192  N      2.876433    5.299322    0.636007    24   191
   193  N      0.236160    6.931619   -2.594475    24   194
   194  N      1.285393    6.832352   -2.977025    24   193
   195  N      0.173271    1.664896    5.310613    24   196
   196  N      0.063177    0.839043    6.060902    24   195
   197  N     -4.273804   -2.411488    1.596875    24   198
   198  N     -3.681127   -3.363232    1.600077    24   197
   199  N     -3.232834    8.714544    3.941761    24   200
   200  N     -2.504134    8.352323    3.170475    24   199
   201  N     -6.249090   -3.304243    8.251091    24   202
   202  N     -5.633363   -3.981660    7.603728    24   201
   203  N     -0.478228    5.620137    4.312281    24   204
   204  N      0.044378    4.720113    3.895234    24   203
   205  N      5.314974    6.945930   -5.567396    24   206
   206  N      4.287208    7.233738   -5.910840    24   205
   207  N     -9.549706    5.220093   -3.378099    24   208
   208  N     -8.459877    5.225449   -3.641410    24   207
   209  N     -7.414832    1.927617    5.505220    24   210
   210  N     -8.125234    2.366456    6.253443    24   209
   211  N      0.700538   -5.018434    6.488968    24   212
   212  N      1.792149   -5.221551    6.333342    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.492380    1.813815    1.870033    24     2
     2  N     -4.635243    2.105222    1.208606    24     1
     3  N     -4.545229    1.850913   -3.437571    24     4
     4  N     -4.974829    1.270209   -4.295076    24     3
     5  N     -2.869593   -6.485936    7.364491    24     6
     6  N     -2.964698   -7.157315    6.471578    24     5
     7  N     -8.175046   -8.567287    0.512793    24     8
     8  N     -8.598900   -8.866464   -0.481154    24     7
     9  N      1.732728    0.133989   -7.416637    24    10
    10  N      1.761391    1.247611   -7.289697    24     9
    11  N     -3.026990    7.546597    5.978067    24    12
    12  N     -2.974289    7.296320    7.069705    24    11
    13  N      3.259287   -7.867787   -2.479458    24    14
    14  N      3.747671   -8.034195   -3.474887    24    13
    15  N     -4.463136    4.056274   -7.897064    24    16
    16  N     -4.163501    3.157532   -8.496707    24    15
    17  N     -4.462381   -5.165066   -6.923618    24    18
    18  N     -5.476872   -5.382114   -7.348810    24    17
    19  N      5.148657    5.840994    8.795710    24    20
    20  N      5.283190    6.949465    8.694307    24    19
    21  N     -3.068690    6.480115   -4.882366    24    22
    22  N     -2.769877    7.411627   -4.334567    24    21
    23  N     -1.294791    1.811224   -5.281307    24    24
    24  N     -0.444059    2.159983   -4.639658    24    23
    25  N     -0.637247   -2.708958    0.109534    24    26
    26  N      0.482181   -2.685240    0.051162    24    25
    27  N     -0.113584   -3.759376   -5.995171    24    28
    28  N     -1.225416   -3.616170   -5.974912    24    27
    29  N      2.048735   -0.413994    2.940449    24    30
    30  N      1.655342    0.525473    3.409204    24    29
    31  N      5.808356    4.273003   -1.541861    24    32
    32  N      5.655097    4.568534   -2.612498    24    31
    33  N      2.021704   -3.181177    4.472178    24    34
    34  N      1.859919   -3.912809    3.638134    24    33
    35  N      8.422769    1.947788   -2.002075    24    36
    36  N      8.859775    2.515447   -1.139591    24    35
    37  N     -5.972443    5.071107   -1.191056    24    38
    38  N     -6.712461    5.516500   -0.476152    24    37
    39  N     -3.658684   -0.696973   -6.503266    24    40
    40  N     -4.148010   -0.860226   -7.498755    24    39
    41  N     -6.080885    8.202535   -3.731072    24    42
    42  N     -5.826671    8.698068   -2.757978    24    41
    43  N      7.307039   -3.643218   -5.321758    24    44
    44  N      6.436398   -4.254515   -5.675864    24    43
    45  N      8.806175   -0.899889    7.300241    24    46
    46  N      7.755481   -1.252912    7.469080    24    45
    47  N      5.940401    8.101812   -1.092528    24    48
    48  N      6.792262    7.947664   -0.380027    24    47
    49  N      7.985357   -5.317496   -8.855795    24    50
    50  N      7.677871   -4.239606   -8.882119    24    49
    51  N     -4.486832   -5.905891   -1.677415    24    52
    52  N     -3.754040   -5.072937   -1.515270    24    51
    53  N      7.619401   -7.494787   -2.695282    24    54
    54  N      7.955075   -8.314954   -3.382114    24    53
    55  N      2.075783    2.352967    7.939754    24    56
    56  N      2.176755    2.893683    6.962758    24    55
    57  N     -6.094700    6.942517    6.845133    24    58
    58  N     -6.162409    5.874154    6.511809    24    57
    59  N      1.145928   -1.709547   -3.229402    24    60
    60  N      1.590057   -1.168697   -4.105371    24    59
    61  N     -2.526958   -6.048289    3.178336    24    62
    62  N     -1.803893   -6.320034    2.365672    24    61
    63  N      7.990047    4.959350    1.278203    24    64
    64  N      6.951076    4.543088    1.344192    24    63
    65  N     -5.582596   -1.528627    3.662705    24    66
    66  N     -6.493725   -0.927409    3.406833    24    65
    67  N     -1.017052   -7.903734   -2.136476    24    68
    68  N     -0.708743   -8.242361   -1.113066    24    67
    69  N     -8.733576    5.678298    4.253558    24    70
    70  N     -8.349312    6.405558    3.491636    24    69
    71  N      1.658261   -1.359885    7.729140    24    72
    72  N      1.542849   -2.453051    7.508322    24    71
    73  N      5.108900   -1.476910   -8.466259    24    74
    74  N      4.833185   -2.538448   -8.233433    24    73
    75  N     -4.490093   -7.930772    1.154518    24    76
    76  N     -4.688053   -8.981942    0.818450    24    75
    77  N      3.156303   -3.911047   -5.137058    24    78
    78  N      3.239039   -5.013641   -5.322880    24    77
    79  N      0.755291    8.863001    4.655175    24    80
    80  N      0.375099    8.792184    5.707566    24    79
    81  N     -1.313669   -2.973682    4.421896    24    82
    82  N     -1.450159   -2.639037    5.483251    24    81
    83  N      1.292853    6.310667   -6.543454    24    84
    84  N      0.517387    5.910639   -7.247527    24    83
    85  N      3.725364   -8.049363    7.512337    24    86
    86  N      4.680280   -7.801168    8.044901    24    85
    87  N     -7.779237    2.447327   -9.116208    24    88
    88  N     -7.230908    3.420126   -9.015774    24    87
    89  N     -3.218036   -1.851694   -3.028935    24    90
    90  N     -2.254873   -1.296839   -3.175710    24    89
    91  N     -8.050307   -5.778108   -2.638400    24    92
    92  N     -7.635670   -4.856031   -2.153697    24    91
    93  N     -0.415329   -9.196748    9.359868    24    94
    94  N     -0.344599   -8.244991    8.771442    24    93
    95  N     -6.617317    7.135029   -7.652005    24    96
    96  N     -7.015489    6.456661   -6.853026    24    95
    97  N      8.135960    4.097000    7.433398    24    98
    98  N      7.435874    3.565426    6.737411    24    97
    99  N     -4.730291    0.241655    7.023062    24   100
   100  N     -3.802815   -0.364407    6.851111    24    99
   101  N     -1.415668    5.949765   -0.591942    24   102
   102  N     -0.451598    6.084721   -0.035663    24   101
   103  N     -6.158814   -7.398477    8.092922    24   104
   104  N     -7.261442   -7.581751    8.005104    24   103
   105  N     -2.003127    1.341025   -0.228379    24   106
   106  N     -1.602281    2.352432    0.042671    24   105
   107  N      5.031049   -1.966922    2.902656    24   108
   108  N      5.487710   -1.063480    2.420635    24   107
   109  N      4.498836    7.332547    3.201325    24   110
   110  N      5.275163    6.555947    2.974835    24   109
   111  N     -6.192690   -4.433798    4.783550    24   112
   112  N     -5.352633   -4.554675    5.516203    24   111
   113  N     -1.682474    0.157568    3.277708    24   114
   114  N     -2.728043    0.211094    3.678970    24   113
   115  N     -0.953796    3.665605    8.957575    24   116
   116  N     -0.922907    4.456705    8.163664    24   115
   117  N      2.546313    6.344920    6.236466    24   118
   118  N      1.974775    6.182457    7.187276    24   117
   119  N      6.757774    7.273436    5.998778    24   120
   120  N      6.902257    8.321477    6.370024    24   119
   121  N     -7.826478   -5.131947    2.137113    24   122
   122  N     -7.063432   -4.941089    1.338099    24   121
   123  N     -4.712362    6.562544    3.165103    24   124
   124  N     -5.171102    5.631286    2.741541    24   123
   125  N     -8.549302   -1.022641   -7.720530    24   126
   126  N     -9.580566   -1.015825   -7.280600    24   125
   127  N     -0.823451   -7.209076   -5.329319    24   128
   128  N     -1.922934   -6.991969   -5.362357    24   127
   129  N      6.604084   -7.156125   -6.592218    24   130
   130  N      5.740190   -7.870718   -6.603750    24   129
   131  N      8.332059   -6.276612    6.237998    24   132
   132  N      7.612918   -6.841358    5.589162    24   131
   133  N     -8.097754   -7.017865   -5.936745    24   134
   134  N     -7.635537   -8.036625   -5.862104    24   133
   135  N      2.216792    9.042301    0.765745    24   136
   136  N      2.122087    8.028693    1.235553    24   135
   137  N      8.407973    4.748679   -7.241369    24   138
   138  N      7.963219    5.773062   -7.340987    24   137
   139  N      2.698314   -5.961713    0.104690    24   140
   140  N      1.752492   -5.717822   -0.445790    24   139
   141  N     -6.815677   -7.858249    3.677052    24   142
   142  N     -6.888562   -8.968404    3.816099    24   141
   143  N      7.464051    0.850038    4.286971    24   144
   144  N      8.250654    1.484363    3.801197    24   143
   145  N     -3.621456    9.217749   -7.467025    24   146
   146  N     -3.498011    8.480553   -8.302724    24   145
   147  N      2.908854    2.560395   -2.282561    24   148
   148  N      2.385173    1.602282   -2.537249    24   147
   149  N      5.425400    0.704429   -4.463765    24   150
   150  N      5.834344    1.120310   -3.506218    24   149
   151  N     -3.670459    3.343504    4.572346    24   152
   152  N     -3.305015    3.399320    5.630846    24   151
   153  N      2.653941    9.425255   -7.403650    24   154
   154  N      3.149322    8.570219   -7.933368    24   153
   155  N      6.441714    1.606288   -7.817011    24   156
   156  N      6.953781    1.480357   -8.806466    24   155
   157  N      9.099592    9.099044   -8.313587    24   158
   158  N      8.616265    8.874452   -9.300016    24   157
   159  N     -8.317563    2.687757   -4.877000    24   160
   160  N     -8.990988    2.423989   -5.733747    24   159
   161  N      2.061044   -5.521325   -8.351759    24   162
   162  N      0.978803   -5.456160   -8.637411    24   161
   163  N      3.005290   -7.027563    3.165903    24   164
   164  N      3.661675   -7.547470    3.911521    24   163
   165  N      3.636611   -2.034999   -0.979046    24   166
   166  N      4.348332   -1.337274   -1.492583    24   165
   167  N      4.596593    0.445838    7.002621    24   168
   168  N      4.565469   -0.368857    6.232950    24   167
   169  N     -2.175187   -3.422425    9.153716    24   170
   170  N     -3.133082   -3.385126    8.572223    24   169
   171  N      3.944434    3.706427   -7.013902    24   172
   172  N      4.560847    3.570393   -6.087286    24   171
   173  N      4.504168    2.612464    3.847958    24   174
   174  N      4.938375    3.581178    4.208715    24   173
   175  N     -6.542141   -2.048110   -3.488130    24   176
   176  N     -6.850186   -1.245243   -2.768685    24   175
   177  N      5.890577    1.160360    0.032096    24   178
   178  N      4.918968    1.430311    0.522190    24   177
   179  N      5.894182   -5.237078    2.178115    24   180
   180  N      5.837618   -5.326149    1.061891    24   179
   181  N      5.143816   -5.239030   -2.261813    24   182
   182  N      5.986843   -4.501743   -2.208846    24   181
   183  N      8.662327   -2.589574    3.289372    24   184
   184  N      8.032128   -3.009655    4.116095    24   183
   185  N      7.815795   -9.531402    3.397995    24   186
   186  N      7.440372   -8.679350    2.773371    24   185
   187  N      5.646525   -4.349203    6.599349    24   188
   188  N      4.802638   -4.444089    5.867270    24   187
   189  N      7.894705   -1.976983   -0.499162    24   190
   190  N      8.257909   -2.930970   -0.962930    24   189
   191  N      2.802003    4.566322    0.636171    24   192
   192  N      2.564882    3.629117    1.204071    24   191
   193  N      2.244825    6.092916   -2.807286    24   194
   194  N      1.128768    6.158354   -2.722290    24   193
   195  N     -0.744399    0.874069    7.648073    24   196
   196  N     -1.011685    0.909659    6.559781    24   195
   197  N     -3.786578   -3.113566    1.136114    24   198
   198  N     -4.385117   -2.180779    0.966552    24   197
   199  N     -2.094481    8.774261    2.679906    24   200
   200  N     -1.917373    7.683780    2.871146    24   199
   201  N     -7.151943   -3.389093    8.563990    24   202
   202  N     -7.548797   -3.881790    7.638329    24   201
   203  N     -0.150758    4.340058    4.266808    24   204
   204  N      0.274465    4.875467    3.378207    24   203
   205  N      5.860973    7.410474   -4.478861    24   206
   206  N      5.537397    7.098307   -5.505964    24   205
   207  N      9.270666    6.737371   -2.852734    24   208
   208  N      8.721578    5.772850   -2.693699    24   207
   209  N     -6.577300    2.597322    5.633693    24   210
   210  N     -7.529238    2.016090    5.519351    24   209
   211  N      0.226039   -5.460045    6.355627    24   212
   212  N      1.168216   -6.020022    6.591887    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.990831    4.182730    2.197623    24     2
     2  N     -6.654773    3.352595    1.523066    24     1
     3  N     -4.995793    0.800782   -2.484055    24     4
     4  N     -4.074710    1.099630   -1.918913    24     3
     5  N     -3.445902   -6.786984    5.796992    24     6
     6  N     -3.552565   -7.245965    6.814365    24     5
     7  N     -7.414529    8.042242    0.920067    24     8
     8  N     -7.587568    6.946076    0.760171    24     7
     9  N      2.448496    0.166228   -6.809548    24    10
    10  N      2.298543   -0.789295   -6.242469    24     9
    11  N     -1.996928    7.015798    6.477016    24    12
    12  N     -1.904161    7.862790    5.748259    24    11
    13  N      2.895218   -8.144616   -2.299769    24    14
    14  N      2.381658   -8.401285   -3.262820    24    13
    15  N     -4.100386    3.463932   -8.087479    24    16
    16  N     -3.634064    4.445456   -8.363602    24    15
    17  N     -3.915994   -6.280619   -6.625802    24    18
    18  N     -4.576193   -6.891111   -5.956082    24    17
    19  N      5.462487    5.331403   -8.824019    24    20
    20  N      5.012364    6.291043   -8.458549    24    19
    21  N     -2.516443    7.871747   -4.538830    24    22
    22  N     -2.689880    8.381634   -3.555456    24    21
    23  N     -0.844569    0.914138   -5.520685    24    24
    24  N     -1.594363    1.745973   -5.575001    24    23
    25  N     -1.871826   -1.374265    0.712602    24    26
    26  N     -0.917226   -1.865613    1.035719    24    25
    27  N     -1.185165   -3.392802   -5.742602    24    28
    28  N     -0.220099   -3.551988   -6.290687    24    27
    29  N      0.394393    0.676032    3.511170    24    30
    30  N      1.130495   -0.085041    3.879966    24    29
    31  N      7.064608    3.363575   -3.943670    24    32
    32  N      7.221968    3.456228   -5.049899    24    31
    33  N      2.264765   -3.261835    2.660301    24    34
    34  N      2.343053   -2.963632    1.582324    24    33
    35  N     -8.605459    0.951270   -1.114815    24    36
    36  N     -8.716482    2.059551   -1.243176    24    35
    37  N     -5.265770    4.550629   -1.599366    24    38
    38  N     -5.577892    5.625428   -1.532451    24    37
    39  N     -3.345669   -0.710644   -6.723944    24    40
    40  N     -3.968475   -0.580517   -7.647128    24    39
    41  N     -7.140808    9.060751   -4.110823    24    42
    42  N     -6.058828    8.823123   -4.283856    24    41
    43  N      7.720739   -3.736130   -4.927025    24    44
    44  N      6.817936   -3.852308   -4.272396    24    43
    45  N      9.075593   -0.094347    7.975053    24    46
    46  N      8.747536   -0.951298    8.619337    24    45
    47  N      5.312697    7.765618   -1.513710    24    48
    48  N      5.600169    6.700968   -1.311303    24    47
    49  N      7.957193   -5.179328    8.139904    24    50
    50  N      8.197625   -4.838283    9.180562    24    49
    51  N     -2.448398   -5.962375   -2.914851    24    52
    52  N     -1.743910   -6.537365   -3.570726    24    51
    53  N      7.619389   -8.319154   -2.149817    24    54
    54  N      8.511371   -7.828194   -2.619302    24    53
    55  N      3.427997    1.382825    8.164411    24    56
    56  N      2.415944    1.834285    8.334766    24    55
    57  N     -5.825837    6.247956    7.711018    24    58
    58  N     -6.528040    6.663803    8.479829    24    57
    59  N     -0.894373   -2.156776   -2.655615    24    60
    60  N     -1.282740   -1.110163   -2.759845    24    59
    61  N     -1.889348   -5.951378    1.672196    24    62
    62  N     -1.071716   -5.214506    1.458683    24    61
    63  N      7.549119    5.625726    1.262811    24    64
    64  N      7.948042    4.670643    0.831804    24    63
    65  N     -7.409846   -0.931147    2.954620    24    66
    66  N     -7.463028   -0.303888    3.882418    24    65
    67  N     -0.765162   -8.589935   -0.548795    24    68
    68  N     -0.451942   -9.391144   -1.267856    24    67
    69  N     -8.885424    6.490227    4.344149    24    70
    70  N     -8.487523    7.538220    4.365941    24    69
    71  N      1.273511   -1.503362    6.680874    24    72
    72  N      1.935830   -2.200805    6.104680    24    71
    73  N      5.477246   -2.857468   -7.385122    24    74
    74  N      5.331226   -2.087384   -8.186832    24    73
    75  N     -4.359439   -8.743075   -0.712223    24    76
    76  N     -5.164546   -8.521239    0.035894    24    75
    77  N      3.381711   -5.283231   -4.365019    24    78
    78  N      2.658435   -4.632865   -4.922679    24    77
    79  N      1.500954    8.617568    5.065091    24    80
    80  N      1.481535    9.360367    4.225472    24    79
    81  N     -2.474506   -3.008821    3.819080    24    82
    82  N     -1.850908   -2.318717    4.445159    24    81
    83  N     -0.348832    6.501604   -7.306302    24    84
    84  N      0.524159    6.388651   -6.611884    24    83
    85  N      3.805127   -8.278071    7.040806    24    86
    86  N      4.556378   -7.463539    7.211827    24    85
    87  N     -7.456871    2.106860   -8.876378    24    88
    88  N     -7.176715    3.190546   -8.941392    24    87
    89  N     -4.191197   -3.383383   -4.382977    24    90
    90  N     -4.539243   -2.457636   -3.854822    24    89
    91  N     -6.298902   -5.547752   -2.472271    24    92
    92  N     -5.623886   -6.441907   -2.428363    24    91
    93  N     -0.149934   -8.361684    9.030239    24    94
    94  N      0.176922   -8.102865    7.989437    24    93
    95  N     -5.689250    6.429533   -6.554415    24    96
    96  N     -6.002797    5.698127   -5.764590    24    95
    97  N      5.691873    3.673421    6.431272    24    98
    98  N      6.725449    3.449852    6.803870    24    97
    99  N     -4.996813    0.924936    6.884685    24   100
   100  N     -5.036032   -0.122081    7.283817    24    99
   101  N     -1.502183    5.688475   -1.443100    24   102
   102  N     -0.832037    5.314276   -0.625806    24   101
   103  N     -6.589693   -7.525735    8.595626    24   104
   104  N     -6.960806   -8.357800    7.942147    24   103
   105  N     -1.221487    1.727598   -0.652154    24   106
   106  N     -0.645124    1.900542    0.293882    24   105
   107  N      4.702344   -0.654344    2.027819    24   108
   108  N      5.016280   -0.685667    3.103715    24   107
   109  N      4.645390    6.499421    3.555633    24   110
   110  N      4.021633    6.389172    2.630506    24   109
   111  N     -5.838672   -3.134371    5.564046    24   112
   112  N     -5.721942   -4.109894    6.104246    24   111
   113  N     -3.170363    1.166147    2.999253    24   114
   114  N     -3.893037    0.537589    3.582133    24   113
   115  N     -0.371095    3.566259   -8.691901    24   116
   116  N     -0.889197    2.940222   -9.464389    24   115
   117  N      1.424753    5.760206    7.796114    24   118
   118  N      1.438144    6.759733    8.303908    24   117
   119  N      6.053034    7.344118    6.672403    24   120
   120  N      6.652305    7.264127    5.728175    24   119
   121  N     -6.051485   -4.958354    1.617522    24   122
   122  N     -6.480915   -4.445795    2.517501    24   121
   123  N     -5.006626    6.625685    3.386342    24   124
   124  N     -4.576472    5.998084    4.209856    24   123
   125  N     -8.553055   -0.680418   -6.282119    24   126
   126  N     -9.488638   -0.373221   -5.746019    24   125
   127  N      0.055832   -7.106640   -6.161071    24   128
   128  N     -0.283777   -8.101058   -5.770063    24   127
   129  N      6.017161   -7.244557   -5.491308    24   130
   130  N      6.164752   -6.449477   -6.267937    24   129
   131  N      7.870821   -7.771838    5.740083    24   132
   132  N      7.529908   -7.232794    4.817967    24   131
   133  N     -8.309313   -6.335249   -7.062917    24   134
   134  N     -8.669658   -6.530570   -6.019323    24   133
   135  N      1.637335    8.050239    1.069729    24   136
   136  N      2.438883    8.231572    0.307017    24   135
   137  N      8.751187    5.643300   -7.146780    24   138
   138  N      8.549129    4.758955   -7.805717    24   137
   139  N      2.091453   -5.611655   -0.394831    24   140
   140  N      2.125737   -6.239453    0.533493    24   139
   141  N     -6.809958   -7.719485    3.964889    24   142
   142  N     -5.766211   -8.065465    4.183930    24   141
   143  N      7.795007    1.197680    2.519474    24   144
   144  N      8.714554    1.622429    2.038735    24   143
   145  N     -2.901599    8.232736   -9.067337    24   146
   146  N     -2.789293    8.497346   -7.983613    24   145
   147  N      3.340252    2.150481   -2.889958    24   148
   148  N      2.262918    2.441855   -2.782526    24   147
   149  N      5.842614    0.179968   -4.101523    24   150
   150  N      5.130514   -0.436545   -4.709730    24   149
   151  N     -3.468391    3.431077    5.667631    24   152
   152  N     -3.371923    4.035594    6.606960    24   151
   153  N      2.726981   -9.322492   -6.810523    24   154
   154  N      3.419178   -8.440506   -6.803187    24   153
   155  N      6.322737    1.041262   -7.441757    24   156
   156  N      6.820611    1.573213   -8.293954    24   155
   157  N      8.070109    9.616562   -8.834867    24   158
   158  N      8.395304    8.577153   -9.101261    24   157
   159  N     -7.696844    2.769451   -4.635562    24   160
   160  N     -6.665906    2.397098   -4.871382    24   159
   161  N      2.717179   -4.619851    9.151535    24   162
   162  N      1.645892   -4.731090    8.839994    24   161
   163  N      4.663045   -7.551613    3.169582    24   164
   164  N      4.085558   -6.653945    3.512790    24   163
   165  N      2.551990   -0.678040   -0.811253    24   166
   166  N      1.891944    0.079939   -0.314368    24   165
   167  N      6.368588   -0.735832    6.109419    24   168
   168  N      6.740800    0.138533    5.514413    24   167
   169  N     -2.052968   -3.524374    8.294586    24   170
   170  N     -2.196699   -2.818386    9.153661    24   169
   171  N      2.442218    3.801809   -5.886700    24   172
   172  N      3.161889    4.055436   -6.708183    24   171
   173  N      3.933700    2.576023    3.533728    24   174
   174  N      4.924740    2.935614    3.152126    24   173
   175  N     -7.992780   -1.599957   -2.755850    24   176
   176  N     -7.708949   -2.086457   -1.786392    24   175
   177  N      6.438712    2.347665   -0.569358    24   178
   178  N      5.320206    2.425054   -0.576121    24   177
   179  N      5.901636   -4.331332    2.124153    24   180
   180  N      6.708271   -3.568309    2.279795    24   179
   181  N      5.314625   -5.959327   -1.438286    24   182
   182  N      5.365925   -4.999837   -0.860499    24   181
   183  N      9.270366   -3.637032    5.376743    24   184
   184  N      8.889170   -2.583398    5.336327    24   183
   185  N      7.009866   -9.375094    1.857218    24   186
   186  N      7.553546   -8.435119    1.578025    24   185
   187  N      5.080652   -4.386542    6.639538    24   188
   188  N      5.129791   -3.867866    5.646739    24   187
   189  N      7.291522   -1.309125   -0.921804    24   190
   190  N      7.372774   -0.908697    0.122296    24   189
   191  N      1.969371    4.117133    1.014348    24   192
   192  N      2.310805    4.353520   -0.027109    24   191
   193  N      1.945730    6.395835   -2.999746    24   194
   194  N      1.187538    5.850780   -3.620350    24   193
   195  N     -1.448374    0.290900    6.482263    24   196
   196  N     -1.776330    0.062195    7.529749    24   195
   197  N     -5.039385   -1.475359    0.947225    24   198
   198  N     -4.996069   -2.055903   -0.010994    24   197
   199  N     -1.925528    8.551353    2.535260    24   200
   200  N     -1.871725    7.698003    1.810011    24   199
   201  N     -6.518136   -3.257707   -8.602982    24   202
   202  N     -5.849523   -3.793059   -7.879487    24   201
   203  N      0.126119    4.667136    4.328506    24   204
   204  N      0.178033    3.721320    4.928361    24   203
   205  N      4.624081    6.141582   -4.927785    24   206
   206  N      4.925632    7.186745   -4.656141    24   205
   207  N      8.360564    6.306003   -4.104169    24   208
   208  N      9.237315    6.208041   -3.412215    24   207
   209  N     -7.243010    3.975031    5.685431    24   210
   210  N     -7.279437    2.855026    5.722171    24   209
   211  N     -0.097822   -5.635335    5.066075    24   212
   212  N      0.839640   -5.928176    5.606906    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.274333    3.394765    1.306436    24     2
     2  N     -6.348167    3.085569    1.214964    24     1
     3  N     -5.839359    2.004039   -1.998703    24     4
     4  N     -4.940184    1.881567   -2.657167    24     3
     5  N     -1.619509   -7.184870    5.197620    24     6
     6  N     -1.741859   -8.184074    5.691291    24     5
     7  N     -7.416831    8.924922    0.848550    24     8
     8  N     -7.275099    8.608841    1.914897    24     7
     9  N      2.398581   -1.054557   -8.802204    24    10
    10  N      2.776849   -1.079977   -7.747047    24     9
    11  N     -2.490228    6.726719    6.984529    24    12
    12  N     -1.402898    6.625632    6.730396    24    11
    13  N      3.980037   -8.827803   -2.881894    24    14
    14  N      3.729755   -8.211422   -3.784403    24    13
    15  N     -2.933368    3.531451   -7.643099    24    16
    16  N     -3.552082    4.461665   -7.548317    24    15
    17  N     -3.605820   -5.897946   -5.924891    24    18
    18  N     -4.634785   -5.966655   -5.484890    24    17
    19  N      5.228185    4.715899    8.606416    24    20
    20  N      4.847757    5.540404    9.264104    24    19
    21  N     -2.458469    7.600725   -4.720694    24    22
    22  N     -2.880019    8.557003   -4.314595    24    21
    23  N     -0.971856    3.431200   -3.743305    24    24
    24  N     -1.720265    4.244656   -3.555520    24    23
    25  N     -1.831566   -2.313643    0.471213    24    26
    26  N     -0.910237   -2.129673   -0.140666    24    25
    27  N     -1.728631   -3.557562   -5.772904    24    28
    28  N     -1.765934   -3.279803   -6.858513    24    27
    29  N      0.667295    0.661616    1.854325    24    30
    30  N      0.680643   -0.318555    2.398545    24    29
    31  N      6.524156    3.823408   -3.149695    24    32
    32  N      6.294497    3.309124   -4.119158    24    31
    33  N      1.602186   -4.010768    1.903361    24    34
    34  N      1.767473   -3.274456    2.732586    24    33
    35  N     -9.036878    2.294439   -0.781020    24    36
    36  N     -9.054651    1.230889   -0.426569    24    35
    37  N     -5.483318    4.976884   -4.214111    24    38
    38  N     -4.681669    5.427611   -3.572790    24    37
    39  N     -2.241305   -0.352113   -8.270792    24    40
    40  N     -3.306063   -0.460844   -8.604795    24    39
    41  N     -6.150073   -8.849782   -4.838397    24    42
    42  N     -6.389941   -9.257166   -3.821740    24    41
    43  N      7.724814   -4.314354   -3.115293    24    44
    44  N      6.950202   -4.605338   -3.871861    24    43
    45  N      8.812416    0.165261    9.045304    24    46
    46  N      8.259278   -0.089433    8.103890    24    45
    47  N      5.556081    7.273730   -0.692760    24    48
    48  N      5.155809    6.440932   -1.327832    24    47
    49  N      7.387740   -5.860532   -8.423730    24    50
    50  N      7.945657   -5.138964   -9.075770    24    49
    51  N     -3.268684   -4.687739   -2.645855    24    52
    52  N     -2.889748   -4.744159   -1.592140    24    51
    53  N      9.002078   -7.945958   -2.124556    24    54
    54  N      8.690469   -8.999350   -2.348955    24    53
    55  N      4.134665    2.272869    7.292971    24    56
    56  N      4.004793    1.159292    7.280037    24    55
    57  N     -6.752332    6.481690    7.664574    24    58
    58  N     -6.540893    5.411221    7.922409    24    57
    59  N     -2.554397   -0.548096   -3.709504    24    60
    60  N     -2.727711   -0.978662   -2.688884    24    59
    61  N     -0.987335   -5.923243    1.347038    24    62
    62  N     -2.064085   -6.021760    1.643675    24    61
    63  N      8.220842    5.071567    0.741751    24    64
    64  N      9.108155    5.755602    0.784913    24    63
    65  N     -7.206467   -0.071142    3.708336    24    66
    66  N     -7.244169   -0.987405    3.063255    24    65
    67  N     -0.266949    9.069273   -1.717332    24    68
    68  N      0.305482    8.938552   -2.672489    24    67
    69  N      9.328927    7.888983    5.461283    24    70
    70  N      8.910403    7.114029    4.767472    24    69
    71  N      2.030731   -1.701800    6.394507    24    72
    72  N      3.121935   -1.753775    6.142192    24    71
    73  N      6.260121   -2.225118   -8.329739    24    74
    74  N      6.000316   -2.903051   -7.475339    24    73
    75  N     -4.104763   -8.212739    0.340866    24    76
    76  N     -3.735455   -8.274462   -0.715964    24    75
    77  N      2.004472   -4.343678   -3.814077    24    78
    78  N      2.978511   -4.682068   -3.373815    24    77
    79  N      1.970255    8.438564    4.839794    24    80
    80  N      1.124213    9.093616    5.174771    24    79
    81  N     -2.325177   -3.200389    4.335257    24    82
    82  N     -1.498947   -3.035752    3.595441    24    81
    83  N     -0.561630    6.530221   -7.608106    24    84
    84  N      0.488140    6.923531   -7.627553    24    83
    85  N      5.161178   -7.782427    7.783012    24    86
    86  N      4.052648   -7.619593    7.824671    24    85
    87  N     -6.586902    2.908444   -7.678056    24    88
    88  N     -6.110216    2.520094   -8.615629    24    87
    89  N     -5.690773   -2.849977   -5.098483    24    90
    90  N     -5.751804   -2.460501   -4.048876    24    89
    91  N     -7.324592   -5.136911   -1.141362    24    92
    92  N     -8.121744   -5.151474   -0.353058    24    91
    93  N      0.014525   -7.312033    9.115317    24    94
    94  N      0.603575   -7.776743    8.282158    24    93
    95  N     -6.204571    7.354965   -7.533586    24    96
    96  N     -6.222862    6.794302   -6.562806    24    95
    97  N      7.124387    4.067048    6.175747    24    98
    98  N      7.353609    3.088335    6.672404    24    97
    99  N     -5.543829   -0.313760    7.163204    24   100
   100  N     -6.236703   -0.892390    7.828187    24    99
   101  N     -3.846613    6.112788   -0.530216    24   102
   102  N     -2.828047    6.494255   -0.802422    24   101
   103  N     -6.549670   -7.403056    8.157736    24   104
   104  N     -7.621384   -7.083216    8.078855    24   103
   105  N     -0.829377    1.834495   -0.637138    24   106
   106  N     -1.740317    1.790128    0.015021    24   105
   107  N      4.304297   -0.991739    2.492845    24   108
   108  N      4.633968   -2.062227    2.443226    24   107
   109  N      3.962405    5.453481    3.730204    24   110
   110  N      3.402236    6.162339    3.066263    24   109
   111  N     -4.546289   -4.621536    6.710063    24   112
   112  N     -5.261937   -3.866626    6.291675    24   111
   113  N     -3.689518    1.371939    3.570995    24   114
   114  N     -2.766409    0.765314    3.378729    24   113
   115  N      0.880805    2.288334    8.910436    24   116
   116  N     -0.119273    2.538717    8.469708    24   115
   117  N      1.882388    5.210247    6.832521    24   118
   118  N      1.842886    5.604953    7.881203    24   117
   119  N      5.593772    7.786001    5.490468    24   120
   120  N      5.090789    7.103279    6.223946    24   119
   121  N     -5.849682   -4.106500    2.444733    24   122
   122  N     -4.908998   -4.008364    1.842593    24   121
   123  N     -4.697886    6.747513    4.061260    24   124
   124  N     -5.461470    6.371873    3.331243    24   123
   125  N     -8.578643   -1.534846   -6.032221    24   126
   126  N     -9.686886   -1.460157   -6.184896    24   125
   127  N     -0.126361   -7.608221   -5.757866    24   128
   128  N      0.252879   -6.820469   -5.055931    24   127
   129  N      6.038846   -7.541890   -6.161832    24   130
   130  N      7.103671   -7.762007   -5.888364    24   129
   131  N      7.674120   -7.480123    5.309237    24   132
   132  N      7.520186   -6.382969    5.481421    24   131
   133  N     -8.071158   -6.096543   -5.958116    24   134
   134  N     -8.113947   -5.852542   -4.864626    24   133
   135  N      1.493179    8.613076    1.018660    24   136
   136  N      2.590720    8.663461    0.795152    24   135
   137  N      8.144715    3.105460   -8.018822    24   138
   138  N      8.657013    4.090454   -8.175119    24   137
   139  N      1.523920   -6.561174   -0.866298    24   140
   140  N      0.944241   -5.605596   -0.955374    24   139
   141  N     -6.440429   -6.760554    4.765548    24   142
   142  N     -6.869542   -7.013644    3.761109    24   141
   143  N      8.447613    2.058166    2.602057    24   144
   144  N      7.622674    2.712092    2.987992    24   143
   145  N     -3.250294   -9.215463   -8.165002    24   146
   146  N     -3.900930   -8.317094   -8.001620    24   145
   147  N      2.179386    3.436818   -2.550073    24   148
   148  N      2.768524    2.642133   -3.077786    24   147
   149  N      5.355488   -0.975359   -3.897190    24   150
   150  N      4.737335   -1.877185   -4.145555    24   149
   151  N     -3.433496    3.474753    6.855854    24   152
   152  N     -3.715248    2.513021    7.358620    24   151
   153  N      3.257952    8.600504   -7.573323    24   154
   154  N      3.787873    8.239808   -6.653447    24   153
   155  N      4.944433    1.683950   -7.599279    24   156
   156  N      5.509213    0.736503   -7.800423    24   155
   157  N      8.689908    7.734295    9.509802    24   158
   158  N      8.583157    7.333387    8.468185    24   157
   159  N     -8.706908    2.956238   -5.101795    24   160
   160  N     -7.873867    2.440431   -4.556747    24   159
   161  N      2.663879   -4.535019   -8.411553    24   162
   162  N      2.308965   -4.928749   -7.423574    24   161
   163  N      4.840011   -7.278022    3.347641    24   164
   164  N      3.730862   -7.177745    3.217939    24   163
   165  N      3.145570   -1.794374   -1.082196    24   166
   166  N      2.500065   -1.109993   -0.472248    24   165
   167  N      6.389606   -0.154280    4.834460    24   168
   168  N      7.339758   -0.748845    4.806345    24   167
   169  N     -0.052347   -3.739350    8.453527    24   170
   170  N     -0.877166   -3.165357    7.956239    24   169
   171  N      2.153589    4.046462   -7.184737    24   172
   172  N      2.665273    3.667390   -6.261930    24   171
   173  N      3.618573    2.289789    3.736827    24   174
   174  N      3.701748    2.239967    2.619828    24   173
   175  N     -8.472572   -1.200426   -2.627581    24   176
   176  N     -8.110346   -1.608407   -1.648074    24   175
   177  N      4.796298    1.563263   -0.701363    24   178
   178  N      5.660077    1.718906   -0.003687    24   177
   179  N      7.751557   -3.537015    2.422390    24   180
   180  N      7.002032   -4.328490    2.684820    24   179
   181  N      4.706430   -5.541846   -0.613856    24   182
   182  N      5.451625   -6.298914   -0.972498    24   181
   183  N     -9.334472   -3.548293    6.589318    24   184
   184  N     -8.551585   -4.117644    6.023617    24   183
   185  N      7.923565   -7.125597    1.357603    24   186
   186  N      8.365282   -7.796974    2.139414    24   185
   187  N      5.685622   -3.649570    5.898044    24   188
   188  N      5.801780   -3.844363    6.996065    24   187
   189  N      6.469295   -1.414120   -0.815663    24   190
   190  N      6.396594   -2.518786   -0.638135    24   189
   191  N      1.323888    4.382875    0.732988    24   192
   192  N      0.603732    5.197829    0.460379    24   191
   193  N      2.590041    6.416177   -4.221532    24   194
   194  N      1.581600    6.638766   -4.658097    24   193
   195  N     -0.789933    0.236469    6.344739    24   196
   196  N     -1.795120    0.079335    6.815903    24   195
   197  N     -5.434996   -0.368614    0.243089    24   198
   198  N     -5.200245   -1.463730    0.191084    24   197
   199  N     -1.406538    9.006147    2.003974    24   200
   200  N     -2.028813    8.107003    2.251768    24   199
   201  N     -7.717352   -3.357928   -8.747742    24   202
   202  N     -6.743332   -3.853586   -8.998137    24   201
   203  N     -0.284944    4.356394    3.910301    24   204
   204  N     -0.983397    4.108386    4.751578    24   203
   205  N      6.027922    7.252358   -4.837499    24   206
   206  N      6.118219    6.495247   -5.659520    24   205
   207  N     -9.208682    5.792447   -3.407190    24   208
   208  N     -8.204941    6.131196   -3.039981    24   207
   209  N     -7.113225    2.483248    6.110801    24   210
   210  N     -7.869517    1.693243    6.357787    24   209
   211  N      1.352939   -5.398986    5.832633    24   212
   212  N      2.407114   -5.240390    6.179983    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.134098    3.244730    0.260292    24     2
     2  N     -5.679212    2.265619    0.296066    24     1
     3  N     -5.981551    2.415392   -3.708405    24     4
     4  N     -5.575612    1.583695   -4.341321    24     3
     5  N     -2.554051   -7.855720    5.877818    24     6
     6  N     -1.806065   -7.731510    5.051877    24     5
     7  N     -7.933525    8.654239    0.068062    24     8
     8  N     -7.382863    8.519921    1.035440    24     7
     9  N      1.518390    0.490544   -8.536133    24    10
    10  N      1.223118   -0.530398   -8.178947    24     9
    11  N     -2.927052    6.910639    6.315753    24    12
    12  N     -1.999518    7.166788    6.891214    24    11
    13  N      4.283664   -7.275195   -2.868074    24    14
    14  N      3.851653   -6.240568   -2.866644    24    13
    15  N     -3.531131    5.417408   -8.432042    24    16
    16  N     -2.887389    4.590992   -8.831696    24    15
    17  N     -5.002674   -6.856727   -5.366747    24    18
    18  N     -4.606774   -6.095610   -6.088587    24    17
    19  N      2.809440    5.254610   -7.848387    24    20
    20  N      3.880803    5.208471   -8.175711    24    19
    21  N     -2.903013    8.626304   -4.547237    24    22
    22  N     -3.581831    8.196191   -3.765382    24    21
    23  N     -0.091977    6.014825   -5.091002    24    24
    24  N      0.077972    5.734621   -4.018764    24    23
    25  N     -1.084008   -2.941046    0.645190    24    26
    26  N     -1.361048   -2.019326    0.070064    24    25
    27  N     -0.018559   -3.669920   -6.136076    24    28
    28  N      0.175135   -3.443873   -5.055116    24    27
    29  N     -0.489048   -0.044521    2.483871    24    30
    30  N      0.362734    0.160330    3.183580    24    29
    31  N      5.225941    3.466061   -2.753153    24    32
    32  N      6.112474    3.386424   -3.434920    24    31
    33  N      1.056135   -5.108625    3.218158    24    34
    34  N      1.276914   -5.276125    2.131746    24    33
    35  N      9.445280    2.234840   -0.588552    24    36
    36  N      8.707285    1.396321   -0.491909    24    35
    37  N     -3.997979    5.087692   -4.977117    24    38
    38  N     -3.361917    4.713993   -4.132805    24    37
    39  N     -2.564912    0.200286   -8.116410    24    40
    40  N     -2.835009   -0.778222   -7.640322    24    39
    41  N     -7.146185    8.653747   -3.860381    24    42
    42  N     -6.580409    8.629752   -2.892698    24    41
    43  N      6.715384   -4.524875   -2.522846    24    44
    44  N      7.302839   -3.695983   -2.997109    24    43
    45  N      9.342577   -1.286514    8.872312    24    46
    46  N      8.318107   -1.357022    8.422224    24    45
    47  N      6.089379    6.562728   -1.624457    24    48
    48  N      5.889925    6.660453   -0.525477    24    47
    49  N      8.329742   -4.677303   -9.094120    24    50
    50  N      8.105108   -5.750912   -8.861763    24    49
    51  N     -2.672099   -4.090482   -3.245562    24    52
    52  N     -3.503461   -4.598859   -2.691054    24    51
    53  N      8.120036   -8.309458   -2.905380    24    54
    54  N      7.597983   -9.137597   -3.451947    24    53
    55  N      4.657859    3.270361    7.907959    24    56
    56  N      5.222759    2.520996    7.294421    24    55
    57  N     -6.676012    5.595364    7.220884    24    58
    58  N     -6.664457    4.492755    7.017888    24    57
    59  N     -1.420649   -0.297310   -4.360427    24    60
    60  N     -1.374064   -0.792202   -3.355439    24    59
    61  N     -1.960284   -6.345049    1.215253    24    62
    62  N     -2.830547   -6.950855    1.579578    24    61
    63  N     -8.798596    5.465854    1.822628    24    64
    64  N     -7.686073    5.391497    1.704926    24    63
    65  N     -7.235266   -1.715448    2.172810    24    66
    66  N     -7.558871   -0.746201    1.711368    24    65
    67  N     -0.383489    8.977448   -0.702680    24    68
    68  N      0.156202    8.283293   -1.398363    24    67
    69  N     -7.540404    8.643955    4.572352    24    70
    70  N     -7.938789    7.684170    4.151408    24    69
    71  N      2.559414   -0.735970    6.716781    24    72
    72  N      2.410340   -0.975690    5.631699    24    71
    73  N      5.040250   -1.910647   -8.675449    24    74
    74  N      4.829663   -1.084229   -7.947591    24    73
    75  N     -4.474000   -7.336115   -1.728292    24    76
    76  N     -5.038290   -7.126355   -0.782424    24    75
    77  N      3.626093   -3.291420   -5.363775    24    78
    78  N      4.040995   -2.903970   -4.396910    24    77
    79  N      1.661439    9.498815    5.465430    24    80
    80  N      1.135201    8.551042    5.751591    24    79
    81  N     -1.717115   -4.024602    4.889179    24    82
    82  N     -1.843401   -2.970283    4.529241    24    81
    83  N     -0.009987    7.438845   -8.375620    24    84
    84  N     -1.077589    7.452075   -8.033363    24    83
    85  N      4.513515   -9.105647    7.846383    24    86
    86  N      3.880877   -8.442143    8.491844    24    85
    87  N     -6.428384    0.968792   -7.809754    24    88
    88  N     -6.353684    0.680981   -8.890806    24    87
    89  N     -4.608280   -2.313014   -5.142597    24    90
    90  N     -5.620395   -1.937093   -4.840278    24    89
    91  N      8.865056   -6.181066   -0.312541    24    92
    92  N      9.370192   -6.558629    0.614482    24    91
    93  N      0.281003   -7.117644   -8.238254    24    94
    94  N      0.138140   -7.449468   -9.299656    24    93
    95  N     -6.120108    7.378897   -6.880512    24    96
    96  N     -6.485498    6.596023   -7.595137    24    95
    97  N      8.649188    4.794298    5.405948    24    98
    98  N      7.984355    4.092496    5.973891    24    97
    99  N     -4.506597   -1.825162    6.980890    24   100
   100  N     -4.474218   -1.775593    5.861254    24    99
   101  N     -4.336556    6.388513   -1.222202    24   102
   102  N     -5.402125    6.136375   -1.463194    24   101
   103  N     -7.574507   -7.426922    8.876810    24   104
   104  N     -6.468645   -7.242155    8.872432    24   103
   105  N     -2.657938    1.930398   -1.247413    24   106
   106  N     -1.915987    1.297417   -0.694301    24   105
   107  N      3.664664   -2.976897    3.268269    24   108
   108  N      4.238622   -2.068356    2.948560    24   107
   109  N      5.139865    5.831964    2.265123    24   110
   110  N      4.738257    4.804202    2.066365    24   109
   111  N     -3.809892   -5.255446    8.233083    24   112
   112  N     -3.966813   -5.310883    7.124304    24   111
   113  N     -3.861718    0.519232    3.500967    24   114
   114  N     -4.170196    0.145362    2.489951    24   113
   115  N      0.373368    2.964532    7.287154    24   116
   116  N     -0.155666    3.819895    7.782701    24   115
   117  N      3.139071    5.268462    4.700350    24   118
   118  N      2.249398    5.363311    5.376053    24   117
   119  N      5.224853    8.668693    4.567747    24   120
   120  N      4.636315    8.526517    3.624084    24   119
   121  N     -4.391180   -3.325858    2.013143    24   122
   122  N     -4.993971   -4.029333    2.644693    24   121
   123  N     -5.170110    5.270451    3.859145    24   124
   124  N     -4.265691    5.598842    3.283579    24   123
   125  N      7.952940   -3.077780   -5.891158    24   126
   126  N      9.028022   -3.392709   -5.937081    24   125
   127  N     -0.691749   -6.757553   -4.695630    24   128
   128  N     -1.795144   -6.559385   -4.677200    24   127
   129  N      6.554664   -5.878372   -5.628517    24   130
   130  N      6.583032   -6.845828   -6.194480    24   129
   131  N      7.914427   -6.994594    5.965768    24   132
   132  N      8.244616   -7.217289    4.917688    24   131
   133  N     -7.389416   -5.521517   -2.929058    24   134
   134  N     -8.149975   -5.604523   -3.748661    24   133
   135  N      2.291032    9.291581    1.441859    24   136
   136  N      3.107860    8.917074    0.771316    24   135
   137  N      8.529427    3.885026   -8.663173    24   138
   138  N      9.299731    3.217769   -9.130603    24   137
   139  N      0.194273   -5.832883   -1.455666    24   140
   140  N      0.598558   -4.861947   -1.067173    24   139
   141  N     -5.820910   -6.827935    4.802241    24   142
   142  N     -6.087036   -6.824057    3.713089    24   141
   143  N      7.457752    2.945454    3.016329    24   144
   144  N      8.071469    2.156407    2.508544    24   143
   145  N     -3.838797   -9.142274   -8.470962    24   146
   146  N     -3.090742   -8.614884   -7.823380    24   145
   147  N      2.018967    2.207223   -1.186613    24   148
   148  N      1.482711    3.040028   -1.711927    24   147
   149  N      6.302127    0.047780   -2.509938    24   150
   150  N      5.671291   -0.153642   -3.414683    24   149
   151  N     -3.785822    2.104396    7.136908    24   152
   152  N     -3.970613    3.095803    6.646956    24   151
   153  N      2.409311    9.270804   -5.574981    24   154
   154  N      2.008003    8.838498   -4.621486    24   153
   155  N      6.047921    2.345082   -7.325116    24   156
   156  N      5.434998    2.619392   -6.427245    24   155
   157  N      7.397301    8.428729    7.460704    24   158
   158  N      7.618662    7.344991    7.277400    24   157
   159  N      9.216031    2.718888   -5.439155    24   160
   160  N      8.990874    2.066868   -4.555263    24   159
   161  N      3.619981   -5.020346   -8.166298    24   162
   162  N      2.910062   -5.066495   -9.032886    24   161
   163  N      4.142819   -6.164974    4.731700    24   164
   164  N      4.739593   -6.028254    3.792414    24   163
   165  N      3.262723   -2.214431   -0.331595    24   166
   166  N      2.964860   -1.641313   -1.248056    24   165
   167  N      6.702037   -0.011674    4.927337    24   168
   168  N      7.806484   -0.194673    4.865736    24   167
   169  N     -0.379121   -2.930088    8.822454    24   170
   170  N     -1.149626   -3.618090    9.258415    24   169
   171  N      1.254537    1.902426   -5.448621    24   172
   172  N      0.407282    2.410628   -5.978694    24   171
   173  N      3.108765    2.094313    3.713627    24   174
   174  N      4.184696    1.872041    3.937362    24   173
   175  N     -8.644213   -0.991041   -3.823045    24   176
   176  N     -8.148680   -0.477650   -2.958194    24   175
   177  N      4.478020    1.140115    0.689746    24   178
   178  N      5.274998    1.752220    0.192510    24   177
   179  N      8.447536   -4.181022    3.298074    24   180
   180  N      7.328450   -4.236311    3.339057    24   179
   181  N      5.429814   -4.949646    0.602995    24   182
   182  N      4.562721   -5.519390    0.177985    24   181
   183  N     -7.744005   -3.432475    6.339250    24   184
   184  N     -8.375401   -4.353808    6.241401    24   183
   185  N      6.976637    9.365063    0.563622    24   186
   186  N      7.275965    8.782822    1.473835    24   185
   187  N      5.327574   -3.541149    6.646291    24   188
   188  N      6.348165   -3.994031    6.544399    24   187
   189  N      7.025411   -2.096718   -0.233615    24   190
   190  N      7.569577   -1.781221    0.694520    24   189
   191  N     -0.737774    4.311819    0.882726    24   192
   192  N     -1.264267    5.177799    0.403171    24   191
   193  N      3.188439    6.313581   -3.218202    24   194
   194  N      2.940457    6.193645   -2.131368    24   193
   195  N     -1.384655   -0.370279    6.172254    24   196
   196  N     -0.976247   -0.156426    7.194290    24   195
   197  N     -5.302329   -1.469235   -0.950029    24   198
   198  N     -4.590061   -0.636943   -1.188895    24   197
   199  N     -1.455716    7.637103    3.592757    24   200
   200  N     -0.793644    7.866697    2.717522    24   199
   201  N     -5.922185   -2.617766   -8.148232    24   202
   202  N     -6.376876   -3.608128   -8.411920    24   201
   203  N     -0.563964    4.119064    3.982587    24   204
   204  N     -0.942010    3.135088    4.364638    24   203
   205  N      7.987149    7.931076   -7.430648    24   206
   206  N      8.880795    7.851574   -6.758216    24   205
   207  N     -8.816859    5.412252   -1.744858    24   208
   208  N     -8.419849    5.600928   -2.776300    24   207
   209  N     -7.414695    0.581234    5.231606    24   210
   210  N     -7.894006    1.562316    5.486219    24   209
   211  N      1.572722   -4.898296    6.282475    24   212
   212  N      0.685695   -5.285427    6.848515    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.087083    1.598060    1.286652    24     2
     2  N     -6.957716    1.159095    0.263099    24     1
     3  N     -3.425714    0.109092   -2.840180    24     4
     4  N     -4.250531   -0.219235   -3.524993    24     3
     5  N     -2.069134   -6.636810    5.280547    24     6
     6  N     -2.883212   -7.108375    4.670635    24     5
     7  N     -8.193653    7.834252   -0.680848    24     8
     8  N     -8.590157    8.647716   -1.342777    24     7
     9  N      2.704143    0.147916   -7.268333    24    10
    10  N      1.942411    0.806400   -6.775126    24     9
    11  N     -3.120737    6.192202    6.981280    24    12
    12  N     -3.202263    5.496652    6.105694    24    11
    13  N      4.562385   -7.128434   -2.977684    24    14
    14  N      3.664785   -7.799529   -2.945542    24    13
    15  N     -3.245903    4.365872   -7.780432    24    16
    16  N     -2.706777    4.451031   -6.801055    24    15
    17  N     -6.216321   -5.972379   -7.423568    24    18
    18  N     -5.227703   -6.129188   -6.918459    24    17
    19  N      2.604162    5.097141   -6.732093    24    20
    20  N      2.374873    4.556791   -7.687362    24    19
    21  N     -4.244024    7.339147   -4.099245    24    22
    22  N     -3.701335    8.182481   -3.597883    24    21
    23  N      0.941693    7.356832   -4.760528    24    24
    24  N      0.059409    6.705678   -4.526724    24    23
    25  N     -0.807221   -1.896654   -0.746549    24    26
    26  N     -1.269816   -2.354333    0.166482    24    25
    27  N      1.283280   -5.197592   -5.483585    24    28
    28  N      0.401122   -4.722048   -4.980847    24    27
    29  N      0.267946    1.239063    1.945734    24    30
    30  N      0.641223    0.408280    1.291861    24    29
    31  N      5.689628    3.402075   -2.438601    24    32
    32  N      5.119493    4.367462   -2.430572    24    31
    33  N      1.151852   -6.000292    2.700483    24    34
    34  N      0.905372   -5.572854    3.707277    24    33
    35  N      8.391452    1.489926   -1.067321    24    36
    36  N      7.811567    0.662909   -0.580633    24    35
    37  N     -4.577430    3.422080   -3.298995    24    38
    38  N     -3.887517    4.284963   -3.107837    24    37
    39  N     -3.571946    0.490770   -7.916912    24    40
    40  N     -2.703855    1.039629   -8.366647    24    39
    41  N     -6.905044    9.135286   -4.476187    24    42
    42  N     -7.735058    8.387975   -4.377737    24    41
    43  N      7.869878   -2.770855   -0.838779    24    44
    44  N      7.439066   -3.235885   -1.763570    24    43
    45  N      8.695190   -1.561361    7.669971    24    46
    46  N      9.433725   -0.745329    7.883860    24    45
    47  N      6.687210    7.761461   -2.557829    24    48
    48  N      5.580868    7.640320   -2.422105    24    47
    49  N      8.558618   -5.286693    8.056372    24    50
    50  N      8.160122   -5.813913    8.962092    24    49
    51  N     -2.207218   -5.134726   -2.828237    24    52
    52  N     -3.062650   -4.563201   -3.273976    24    51
    53  N      7.801004   -6.772229   -3.037977    24    54
    54  N      7.718354   -6.721073   -1.920998    24    53
    55  N      4.656779    1.469616    8.599754    24    56
    56  N      5.092493    0.857746    7.767373    24    55
    57  N     -6.303186    5.312993    7.173099    24    58
    58  N     -6.927012    4.976632    8.041886    24    57
    59  N     -1.344444   -1.622715   -5.456317    24    60
    60  N     -1.179495   -2.152359   -4.481967    24    59
    61  N     -3.072278   -8.087594    1.169919    24    62
    62  N     -2.510774   -7.128537    1.318292    24    61
    63  N     -7.494617    5.572179    2.135113    24    64
    64  N     -7.054636    4.874135    2.894219    24    63
    65  N     -8.776363   -1.346054    2.826706    24    66
    66  N     -8.573622   -1.447602    1.728674    24    65
    67  N     -0.604292   -8.995074   -1.998172    24    68
    68  N     -0.188785   -8.666982   -1.009839    24    67
    69  N     -5.797266    7.982386    5.269804    24    70
    70  N     -6.875491    7.977738    4.962394    24    69
    71  N      2.507489   -0.539123    6.489470    24    72
    72  N      2.047077   -0.262628    7.473676    24    71
    73  N      5.915394   -0.961933   -7.745674    24    74
    74  N      5.372964   -1.776323   -7.198291    24    73
    75  N     -4.997538   -7.461258   -1.665617    24    76
    76  N     -5.911107   -8.111241   -1.666989    24    75
    77  N      4.775366   -3.702152   -4.418911    24    78
    78  N      5.205729   -2.938248   -3.720107    24    77
    79  N      1.823977   -8.696333    6.567019    24    80
    80  N      1.644619   -7.726838    6.033166    24    79
    81  N     -0.986562   -2.826231    3.634332    24    82
    82  N     -0.953142   -1.713742    3.498897    24    81
    83  N      0.000656    7.239730    8.507574    24    84
    84  N      0.426514    6.985269    9.513051    24    83
    85  N      5.050032    8.144660   -8.922837    24    86
    86  N      5.228512    8.848818   -8.068791    24    85
    87  N     -6.299056    2.369144   -8.461756    24    88
    88  N     -6.905128    1.613572   -9.026449    24    87
    89  N     -4.769941   -2.254521   -5.788732    24    90
    90  N     -5.631996   -2.815986   -5.342966    24    89
    91  N     -7.596247   -4.755895   -0.260796    24    92
    92  N     -7.601707   -4.369789    0.791810    24    91
    93  N     -1.556904   -6.995171    8.707374    24    94
    94  N     -1.526897   -5.924484    9.038764    24    93
    95  N     -6.647666    4.879156   -6.044593    24    96
    96  N     -7.184392    5.858339   -6.145666    24    95
    97  N      6.530558    4.250111    6.001823    24    98
    98  N      7.128709    5.077255    5.537993    24    97
    99  N     -3.953126   -1.742513    5.641973    24   100
   100  N     -3.834694   -2.752220    6.114791    24    99
   101  N     -5.503336    5.667674   -0.316466    24   102
   102  N     -4.978440    6.601850   -0.646448    24   101
   103  N     -6.471579    8.168582   -9.338655    24   104
   104  N     -6.108597    8.983908   -8.659996    24   103
   105  N     -1.929262    2.798252   -0.302706    24   106
   106  N     -3.048647    2.847813   -0.342840    24   105
   107  N      2.300136   -2.244786    2.568964    24   108
   108  N      3.067065   -2.270420    3.386431    24   107
   109  N      7.512045    6.230842    1.482599    24   110
   110  N      6.840865    5.685847    0.768746    24   109
   111  N     -5.546019   -6.679993    7.220351    24   112
   112  N     -4.506459   -6.833617    7.611249    24   111
   113  N     -3.900984    0.379094    2.073425    24   114
   114  N     -3.087983   -0.306028    1.717435    24   113
   115  N      0.502763    3.338719    7.984670    24   116
   116  N     -0.253052    3.552132    8.784849    24   115
   117  N      2.430562    6.538370    5.061561    24   118
   118  N      1.988469    6.334947    6.071641    24   117
   119  N      5.359349    8.337606    4.809661    24   120
   120  N      5.664996    7.831359    3.857094    24   119
   121  N     -4.562764   -4.313151    2.915419    24   122
   122  N     -3.741635   -3.701909    2.458016    24   121
   123  N     -3.666702    4.934799    3.139201    24   124
   124  N     -3.904323    4.156796    2.367620    24   123
   125  N      8.167407   -3.100501   -5.759971    24   126
   126  N      8.608755   -2.938322   -6.777812    24   125
   127  N     -2.067707   -6.355483   -6.183814    24   128
   128  N     -2.603621   -6.839358   -5.326055    24   127
   129  N      5.144185   -6.537212   -6.242269    24   130
   130  N      5.476003   -5.786909   -7.006489    24   129
   131  N      7.997088   -7.971681    5.046286    24   132
   132  N      8.950575   -8.379893    4.620476    24   131
   133  N     -7.177066   -5.319668   -3.650460    24   134
   134  N     -8.084520   -4.674380   -3.781684    24   133
   135  N      2.256649   -9.004265    1.439844    24   136
   136  N      3.184788   -8.747889    0.865458    24   135
   137  N      8.893536    4.041530   -7.795932    24   138
   138  N      8.189708    3.455076   -8.442297    24   137
   139  N      1.331599   -5.720415   -1.498709    24   140
   140  N      0.647626   -5.410924   -0.665950    24   139
   141  N     -6.642731   -7.999297    2.105973    24   142
   142  N     -6.208066   -7.389751    2.940603    24   141
   143  N      7.358745    2.617039    2.565218    24   144
   144  N      8.194692    1.885304    2.414067    24   143
   145  N     -3.584915    7.922776   -7.525765    24   146
   146  N     -2.785745    8.621691   -7.165302    24   145
   147  N      2.191273    2.686200   -1.163222    24   148
   148  N      1.845847    2.662719   -2.229627    24   147
   149  N      6.802169    0.068813   -3.776472    24   150
   150  N      7.173374    0.010939   -4.832856    24   149
   151  N     -5.072309    1.894403    5.555927    24   152
   152  N     -4.002388    1.955070    5.226266    24   151
   153  N      2.466870   -8.274086   -6.513797    24   154
   154  N      1.414451   -8.262559   -6.127310    24   153
   155  N      5.722931    3.428625   -6.048429    24   156
   156  N      4.909429    2.658558   -6.000440    24   155
   157  N      8.677669    7.780179    7.659925    24   158
   158  N      8.482975    7.201430    8.600261    24   157
   159  N     -7.222152    1.227192   -5.148227    24   160
   160  N     -7.694667    2.153759   -4.729547    24   159
   161  N      2.286874   -6.447067    8.824053    24   162
   162  N      3.191379   -5.787317    8.884784    24   161
   163  N      5.280424   -6.124911    4.832835    24   164
   164  N      4.764383   -6.894228    4.201215    24   163
   165  N      3.110925   -1.881408   -1.018466    24   166
   166  N      2.949756   -0.945080   -1.613783    24   165
   167  N      6.834364   -0.318629    4.909759    24   168
   168  N      6.246485   -1.179808    5.321897    24   167
   169  N     -1.678712   -1.976243    8.764138    24   170
   170  N     -0.722907   -1.753568    9.306302    24   169
   171  N      0.232123    3.250341   -4.967182    24   172
   172  N     -0.821185    3.403582   -4.614835    24   171
   173  N      3.449897    1.851256    4.475148    24   174
   174  N      3.228105    2.934820    4.658957    24   173
   175  N     -8.474365   -1.110691   -3.043597    24   176
   176  N     -7.427430   -1.504640   -2.967312    24   175
   177  N      4.815724    2.356517    0.836310    24   178
   178  N      4.283411    1.374104    0.743587    24   177
   179  N      7.537864   -4.203426    2.226069    24   180
   180  N      7.967428   -4.957045    2.936437    24   179
   181  N      4.926269   -5.676943    0.462879    24   182
   182  N      4.038955   -5.090416    0.817492    24   181
   183  N     -7.642984   -4.425192    5.409204    24   184
   184  N     -6.799262   -3.913690    4.876673    24   183
   185  N      8.506366   -7.881413    1.379914    24   186
   186  N      7.476556   -8.317037    1.462443    24   185
   187  N      5.145477   -3.546282    7.378788    24   188
   188  N      4.211493   -3.260971    6.828007    24   187
   189  N      5.715466   -1.755996    1.262948    24   190
   190  N      6.408918   -1.132540    1.885458    24   189
   191  N     -2.000253    6.126093    0.435291    24   192
   192  N     -1.516038    6.468095   -0.516371    24   191
   193  N      3.054292    5.974231    1.007936    24   194
   194  N      2.533747    5.141640    1.549151    24   193
   195  N     -0.567981    1.472938    5.307165    24   196
   196  N     -0.799843    0.407175    5.566928    24   195
   197  N     -5.053004   -2.078216   -0.505857    24   198
   198  N     -4.983031   -3.083728   -0.996919    24   197
   199  N     -0.217648    7.994580    3.369564    24   200
   200  N     -0.834820    8.644305    2.695734    24   199
   201  N     -5.656407   -3.390862    9.341151    24   202
   202  N     -6.619988   -3.015047    8.908294    24   201
   203  N     -0.346785    4.325339    2.822178    24   204
   204  N      0.400237    4.570917    3.621390    24   203
   205  N      8.872875   -8.220786   -6.695091    24   206
   206  N      8.321461   -8.565296   -7.608516    24   205
   207  N     -8.182825    4.472945   -2.303227    24   208
   208  N     -7.516636    5.235899   -2.784042    24   207
   209  N     -7.884473    1.946579    6.082708    24   210
   210  N     -8.832055    2.539571    6.169537    24   209
   211  N      0.547438   -3.211606    6.389515    24   212
   212  N      0.787394   -4.155175    6.945562    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.177220    2.542370    0.650837    24     2
     2  N     -7.069258    2.037876    0.196040    24     1
     3  N     -4.501704    1.368245   -2.139706    24     4
     4  N     -3.901463    1.310858   -3.084962    24     3
     5  N     -2.283712   -7.046410    4.335348    24     6
     6  N     -2.607177   -7.874386    5.018661    24     5
     7  N     -8.154368    8.121104   -1.831851    24     8
     8  N     -8.487088    9.189562   -1.901019    24     7
     9  N      1.681552    0.980943   -7.535682    24    10
    10  N      1.297753    1.858821   -6.953343    24     9
    11  N     -2.840871    3.775900    7.062153    24    12
    12  N     -2.842894    4.657340    6.369227    24    11
    13  N      3.740406   -6.945364   -4.026347    24    14
    14  N      3.990744   -6.866865   -5.116420    24    13
    15  N     -4.028233    4.906443   -7.952835    24    16
    16  N     -4.674242    4.037482   -7.661860    24    15
    17  N     -5.445573   -6.278820   -7.662282    24    18
    18  N     -4.778495   -7.142745   -7.405902    24    17
    19  N      2.065859    5.757817   -7.715771    24    20
    20  N      2.758984    4.902523   -7.928230    24    19
    21  N     -3.477289    7.623102   -2.860403    24    22
    22  N     -2.724475    8.113460   -2.189650    24    21
    23  N      0.653938    6.894389   -4.299296    24    24
    24  N     -0.128983    6.983799   -5.096875    24    23
    25  N     -1.125293   -1.608915   -0.739502    24    26
    26  N     -2.015183   -0.960463   -0.950915    24    25
    27  N      0.996059   -5.438387   -5.713193    24    28
    28  N      1.402100   -4.408645   -5.534725    24    27
    29  N      0.044100    0.773332    1.806775    24    30
    30  N      0.159875    1.340763    0.846719    24    29
    31  N      4.399874    4.905949   -2.112019    24    32
    32  N      4.476292    5.368780   -3.130370    24    31
    33  N      0.960101   -5.518334    3.799606    24    34
    34  N      0.547376   -6.271072    3.078404    24    33
    35  N      7.939715    0.719167   -0.938308    24    36
    36  N      8.878553    0.165481   -1.201187    24    35
    37  N     -5.699554    4.309464   -4.513448    24    38
    38  N     -5.030577    4.846446   -3.791498    24    37
    39  N     -3.106289   -0.084299   -7.085688    24    40
    40  N     -2.905517    0.952658   -7.461854    24    39
    41  N     -5.583792    8.880385   -4.745045    24    42
    42  N     -6.671259    8.614702   -4.807644    24    41
    43  N      9.169512   -3.759282   -2.421123    24    44
    44  N      8.371273   -3.151249   -1.920923    24    43
    45  N     -8.096490   -2.395829    7.335664    24    46
    46  N     -8.674358   -1.470111    7.078360    24    45
    47  N      5.890988    8.674436   -3.837464    24    48
    48  N      6.449467    8.232547   -2.971483    24    47
    49  N     -9.362613   -5.862595    8.739574    24    50
    50  N     -8.814724   -4.972237    9.144749    24    49
    51  N     -2.941143   -3.799684   -2.457646    24    52
    52  N     -3.073735   -4.846401   -2.078314    24    51
    53  N      7.155272   -6.797714   -2.796310    24    54
    54  N      7.389543   -6.673802   -1.706882    24    53
    55  N      4.956203    0.097760    8.793114    24    56
    56  N      4.592641    1.035128    9.289353    24    55
    57  N     -7.488493    4.297563    8.262371    24    58
    58  N     -7.389383    5.400698    8.436604    24    57
    59  N     -0.053825   -1.569786   -3.851414    24    60
    60  N     -0.638672   -1.306310   -4.770992    24    59
    61  N     -1.254573   -7.767479    0.210625    24    62
    62  N     -1.943362   -6.887619    0.302854    24    61
    63  N     -8.467248    4.253984    3.266904    24    64
    64  N     -8.064562    5.280115    3.471815    24    63
    65  N     -7.272518   -0.314639    3.466072    24    66
    66  N     -7.723651   -0.333016    2.439802    24    65
    67  N      0.679667   -7.427932   -3.047560    24    68
    68  N      0.510086   -8.531632   -2.946660    24    67
    69  N     -4.576338    7.931319    5.806911    24    70
    70  N     -3.943132    7.383125    5.061509    24    69
    71  N      2.056306   -0.470923    7.543597    24    72
    72  N      1.055721   -0.596098    8.033752    24    71
    73  N      3.138019   -2.188197   -6.720549    24    74
    74  N      3.164601   -1.606285   -5.762550    24    73
    75  N     -5.395780   -8.627982   -0.092973    24    76
    76  N     -5.361383   -7.845272   -0.895014    24    75
    77  N      4.773134   -3.093346   -3.142607    24    78
    78  N      5.145468   -2.086866   -2.817873    24    77
    79  N      2.615382   -8.474201    7.534537    24    80
    80  N      2.366837   -9.356466    8.180231    24    79
    81  N     -0.903085   -2.796399    2.238580    24    82
    82  N     -1.909502   -2.349550    2.449629    24    81
    83  N     -0.649293    7.150514    7.773096    24    84
    84  N      0.002138    6.238535    7.805034    24    83
    85  N      5.146787    8.747383   -8.694592    24    86
    86  N      6.106120    9.311372   -8.557903    24    85
    87  N     -5.763774    1.184187    8.823038    24    88
    88  N     -6.865421    0.980838    8.777081    24    87
    89  N     -3.943926   -3.730105   -5.935359    24    90
    90  N     -4.263827   -2.954040   -5.192072    24    89
    91  N     -7.239645   -5.683041    0.411218    24    92
    92  N     -7.909777   -4.816776    0.651213    24    91
    93  N     -2.152535   -5.692342    8.954064    24    94
    94  N     -2.304575   -5.968537    7.878104    24    93
    95  N     -8.135291    5.889658   -6.716955    24    96
    96  N     -8.809019    5.147227   -6.214982    24    95
    97  N      6.501433    4.724928    8.503164    24    98
    98  N      6.188283    5.389328    7.656053    24    97
    99  N     -3.914107   -1.948947    4.708004    24   100
   100  N     -4.814897   -1.645748    5.302762    24    99
   101  N     -5.798412    6.555806   -0.517084    24   102
   102  N     -6.478957    6.061710    0.224412    24   101
   103  N     -5.164754    7.974728   -9.225209    24   104
   104  N     -6.171027    8.376836   -8.937434    24   103
   105  N     -1.798421    4.290611   -1.623958    24   106
   106  N     -2.770622    3.820559   -1.322353    24   105
   107  N      1.994696   -1.720424    3.490242    24   108
   108  N      2.851839   -2.357977    3.149769    24   107
   109  N      8.051461    7.019773    0.439725    24   110
   110  N      8.379360    5.994824    0.125002    24   109
   111  N     -6.881445   -8.022930    6.313496    24   112
   112  N     -6.050889   -7.405010    5.882869    24   111
   113  N     -3.794629    0.544262    2.270923    24   114
   114  N     -2.951870    0.812585    1.581829    24   113
   115  N     -0.072815    2.631373    8.132659    24   116
   116  N     -0.529892    1.892967    8.841832    24   115
   117  N      2.899973    5.654443    6.627929    24   118
   118  N      2.572339    5.384501    5.590203    24   117
   119  N      4.107285    8.256362    4.746565    24   120
   120  N      4.592721    9.169897    5.178881    24   119
   121  N     -4.469099   -5.196427    2.829199    24   122
   122  N     -4.614129   -6.226527    2.410930    24   121
   123  N     -4.553716    4.477047    3.302580    24   124
   124  N     -3.464631    4.382777    3.053385    24   123
   125  N     -8.319192   -2.588315   -6.039276    24   126
   126  N     -7.520971   -3.166162   -5.504462    24   125
   127  N     -2.102930   -6.393792   -5.485067    24   128
   128  N     -2.631076   -6.969326   -4.680759    24   127
   129  N      6.291030   -4.182132   -6.203098    24   130
   130  N      6.213868   -5.282529   -6.403751    24   129
   131  N      7.406482   -6.291084    5.948534    24   132
   132  N      8.139735   -6.702833    5.206987    24   131
   133  N     -5.735633   -5.527670   -3.710912    24   134
   134  N     -6.493160   -6.285275   -4.041479    24   133
   135  N      2.816857   -9.036887    0.378240    24   136
   136  N      2.475605   -8.052088   -0.035049    24   135
   137  N      8.396950    1.949764   -8.608080    24   138
   138  N      8.169485    1.039274   -7.994601    24   137
   139  N      1.662468   -4.229215   -2.065300    24   140
   140  N      0.630175   -4.455435   -1.690753    24   139
   141  N     -6.661887    8.229516    2.584215    24   142
   142  N     -6.913385    9.162985    3.152083    24   141
   143  N      6.846367    2.506244    2.135903    24   144
   144  N      7.271196    2.046197    3.065939    24   143
   145  N     -2.917718    7.768239   -6.725237    24   146
   146  N     -2.399624    8.403628   -7.490058    24   145
   147  N      1.744606    3.471530   -3.472204    24   148
   148  N      1.412750    3.754615   -2.439332    24   147
   149  N      8.065769    0.425321   -4.873635    24   150
   150  N      7.553172   -0.571791   -4.863511    24   149
   151  N     -5.979478    1.826826    5.485259    24   152
   152  N     -5.035171    1.593123    4.927806    24   151
   153  N      1.454445   -9.089592   -6.895522    24   154
   154  N      0.416869   -8.665772   -6.925547    24   153
   155  N      5.445256    1.747939   -5.826846    24   156
   156  N      4.821298    2.028842   -4.938667    24   155
   157  N      8.242445    8.732983    6.823959    24   158
   158  N      8.573289    7.774919    7.303275    24   157
   159  N     -6.912678    0.558513   -6.028919    24   160
   160  N     -5.924476    0.182723   -5.655651    24   159
   161  N      2.349899   -5.783792   -8.797012    24   162
   162  N      2.661217   -4.713558   -8.918534    24   161
   163  N      4.209077   -5.630204    4.562042    24   164
   164  N      3.944554   -5.069767    5.496402    24   163
   165  N      2.366914    0.154173   -2.073957    24   166
   166  N      2.303975   -0.844288   -1.567793    24   165
   167  N      7.053105   -1.017058    5.006430    24   168
   168  N      6.039875   -0.802779    5.436007    24   167
   169  N     -0.881031   -2.734854   -8.368039    24   170
   170  N     -0.381863   -3.343216   -7.569406    24   169
   171  N     -1.753355    3.642227   -4.936169    24   172
   172  N     -1.257234    2.671267   -4.675040    24   171
   173  N      3.959839    1.600822    4.914253    24   174
   174  N      3.441006    1.873965    3.958589    24   173
   175  N     -6.734789   -1.766587   -1.740259    24   176
   176  N     -6.631595   -1.017749   -2.568319    24   175
   177  N      3.432094    2.149865    0.587631    24   178
   178  N      4.096055    1.283483    0.843809    24   177
   179  N      6.891275   -4.584723    2.654493    24   180
   180  N      7.571191   -3.705367    2.801245    24   179
   181  N      4.019416   -4.841983    0.343277    24   182
   182  N      4.878640   -5.235936   -0.259738    24   181
   183  N     -7.248742   -3.639175    4.021820    24   184
   184  N     -7.502357   -4.730884    4.052497    24   183
   185  N      8.658209   -7.536419    1.587812    24   186
   186  N      7.598667   -7.730377    1.899002    24   185
   187  N      6.643235   -3.101602    8.785284    24   188
   188  N      5.603309   -2.970188    8.387322    24   187
   189  N      5.397952   -1.983114    0.414163    24   190
   190  N      6.123077   -1.272624    0.890069    24   189
   191  N     -0.537650    6.811215   -0.107187    24   192
   192  N      0.515345    7.134584   -0.316291    24   191
   193  N      4.530829    4.810555    2.647831    24   194
   194  N      4.000822    5.156869    1.722495    24   193
   195  N     -0.875533   -0.138033    4.915162    24   196
   196  N     -1.298311    0.895065    5.020309    24   195
   197  N     -5.197135   -2.395233    1.354961    24   198
   198  N     -4.327059   -2.556352    0.666411    24   197
   199  N      0.185949    8.834104    4.740590    24   200
   200  N     -0.226752    8.559591    3.734901    24   199
   201  N     -4.671362   -3.141672   -9.029699    24   202
   202  N     -5.558166   -2.669340   -8.532133    24   201
   203  N      0.715106    3.922572    2.728100    24   204
   204  N      0.039957    4.783496    2.482999    24   203
   205  N     -8.974789   -7.989586   -7.205769    24   206
   206  N     -9.109930   -9.096650   -7.090727    24   205
   207  N      8.395596    3.742745   -2.759591    24   208
   208  N      9.445139    4.007743   -2.467489    24   207
   209  N      8.789252    2.291597    6.190844    24   210
   210  N      7.716744    1.972948    6.263500    24   209
   211  N      0.006146   -3.852272    7.013996    24   212
   212  N     -0.035587   -3.753725    5.897915    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.228873    2.466490    0.065720    24     2
     2  N     -6.926680    3.326747    0.718197    24     1
     3  N     -4.967804    1.539466   -2.247016    24     4
     4  N     -4.334007    0.614670   -2.235004    24     3
     5  N     -0.436061   -7.422373    5.301770    24     6
     6  N     -1.482266   -7.822190    5.353638    24     5
     7  N     -8.572931    8.969058   -2.461317    24     8
     8  N     -9.016385    8.944215   -1.431841    24     7
     9  N      1.321473    2.958997   -5.566163    24    10
    10  N      2.247585    2.414005   -5.886147    24     9
    11  N     -3.174503    3.725700    6.724350    24    12
    12  N     -2.303263    3.561790    7.410763    24    11
    13  N      4.392327   -6.679352   -4.603381    24    14
    14  N      4.942521   -7.139452   -5.465172    24    13
    15  N     -4.385568    4.265395   -8.523891    24    16
    16  N     -4.411782    4.835801   -7.558988    24    15
    17  N     -5.112491   -6.728951   -7.657505    24    18
    18  N     -4.877438   -6.026917   -6.815491    24    17
    19  N      3.307863    6.615021   -7.993734    24    20
    20  N      3.251796    5.543308   -7.669116    24    19
    21  N     -2.565836    7.383851   -3.606049    24    22
    22  N     -1.816151    7.761190   -2.862627    24    21
    23  N      1.624539    6.562880   -4.860150    24    24
    24  N      1.034151    6.060756   -4.049962    24    23
    25  N     -1.727179   -1.565935   -0.600414    24    26
    26  N     -1.711036   -1.410271   -1.710638    24    25
    27  N      0.920421   -4.343828   -6.058418    24    28
    28  N      0.477559   -5.349860   -6.279466    24    27
    29  N      0.531317    0.283505    1.541913    24    30
    30  N     -0.426064    0.749220    1.893508    24    29
    31  N      3.962310    5.020998   -1.316259    24    32
    32  N      4.011206    5.154661   -2.428389    24    31
    33  N      2.177285   -6.098352    2.331090    24    34
    34  N      2.399183   -7.148065    2.656597    24    33
    35  N      8.043120    1.072498   -0.664290    24    36
    36  N      8.276929   -0.006121   -0.861786    24    35
    37  N     -6.435006    4.611556   -3.785788    24    38
    38  N     -5.333438    4.413577   -3.719136    24    37
    39  N     -1.988726    1.229922   -8.022342    24    40
    40  N     -3.099162    1.371651   -7.959595    24    39
    41  N     -6.591479    9.110022   -5.233478    24    42
    42  N     -6.478988    8.013977   -5.441133    24    41
    43  N      6.976895   -3.144595   -2.064788    24    44
    44  N      7.418733   -3.341474   -1.053300    24    43
    45  N     -7.858230   -1.452835    6.839282    24    46
    46  N     -8.715025   -0.960458    6.309605    24    45
    47  N      5.951068    8.013609   -6.204697    24    48
    48  N      6.467262    7.900828   -5.215802    24    47
    49  N     -8.228113   -6.564575    8.887391    24    50
    50  N     -8.262665   -5.550144    8.411129    24    49
    51  N     -3.995827   -5.193138   -0.962907    24    52
    52  N     -3.097234   -5.822028   -0.730273    24    51
    53  N      7.306769   -6.927472   -2.381818    24    54
    54  N      6.395065   -7.545060   -2.170936    24    53
    55  N      3.812580    2.575699   -8.812752    24    56
    56  N      4.365151    1.688174   -9.217790    24    55
    57  N     -7.550284    4.563088    7.071381    24    58
    58  N     -6.656319    5.108613    6.670987    24    57
    59  N     -0.019561   -0.545791   -5.020060    24    60
    60  N     -0.939016    0.075367   -4.859267    24    59
    61  N     -0.262099   -8.276052   -0.010079    24    62
    62  N     -1.121320   -8.799849    0.484356    24    61
    63  N     -8.599727    5.814841    3.873295    24    64
    64  N     -8.837546    5.860942    2.778578    24    63
    65  N      9.070284   -1.227142    2.807770    24    66
    66  N      8.859829   -0.130502    2.706887    24    65
    67  N      1.671312   -7.780062   -2.780073    24    68
    68  N      1.662811   -8.895486   -2.893420    24    67
    69  N     -4.863593    7.704135    5.523442    24    70
    70  N     -4.030692    7.143089    6.022033    24    69
    71  N      2.093370   -1.275045    6.914336    24    72
    72  N      3.040568   -1.855343    7.066527    24    71
    73  N      3.578778   -1.544966   -7.572751    24    74
    74  N      2.573661   -1.151646   -7.876282    24    73
    75  N     -5.219511   -8.526542   -2.092972    24    76
    76  N     -4.192566   -8.792187   -1.729787    24    75
    77  N      4.365148   -3.491713   -3.988749    24    78
    78  N      4.299260   -2.424220   -3.652286    24    77
    79  N      1.660674   -8.430050    7.768610    24    80
    80  N      2.717642   -8.648679    7.465119    24    79
    81  N     -0.731953   -4.277626    1.680503    24    82
    82  N     -0.865533   -3.269732    2.153151    24    81
    83  N     -0.519394    7.581100    7.528648    24    84
    84  N     -1.055459    6.824708    8.159199    24    83
    85  N      5.382823   -6.656034   -9.222856    24    86
    86  N      6.194931   -7.283415   -8.771234    24    85
    87  N     -5.315019    0.671102    8.229796    24    88
    88  N     -6.203069    1.235045    7.841949    24    87
    89  N     -3.349641   -3.630703   -4.107751    24    90
    90  N     -2.933723   -3.146338   -5.029431    24    89
    91  N     -6.781781   -7.082049    0.344918    24    92
    92  N     -7.857730   -6.787963    0.458651    24    91
    93  N     -1.295958   -7.116704   -8.990019    24    94
    94  N     -1.469104   -7.153077   -7.882866    24    93
    95  N     -8.787097    5.275691   -6.443150    24    96
    96  N     -8.752526    4.995103   -7.528123    24    95
    97  N      6.543846    5.330584    8.667647    24    98
    98  N      6.793910    6.078150    9.464957    24    97
    99  N     -4.733863   -1.151879    5.143972    24   100
   100  N     -4.478929   -1.809298    4.272250    24    99
   101  N     -5.856395    6.277436   -0.596067    24   102
   102  N     -5.539552    6.534214    0.448330    24   101
   103  N     -5.746100    7.674481    8.686873    24   104
   104  N     -5.673136    8.513957    9.426499    24   103
   105  N     -2.862186    3.912936   -0.136822    24   106
   106  N     -2.880855    4.846114   -0.758045    24   105
   107  N      1.970684   -2.263834    3.710165    24   108
   108  N      2.269022   -2.572908    2.674522    24   107
   109  N      7.971024    5.626224   -0.417429    24   110
   110  N      6.909685    5.985779   -0.454396    24   109
   111  N     -4.449370   -7.041803    6.846285    24   112
   112  N     -3.850067   -7.315667    7.753436    24   111
   113  N     -3.599496    0.345512    2.052308    24   114
   114  N     -3.670372    1.204031    2.769952    24   113
   115  N      0.802603    2.367777    8.720594    24   116
   116  N      0.396196    3.366492    9.027988    24   115
   117  N      3.104373    5.375329    7.012866    24   118
   118  N      2.240138    6.061076    6.813024    24   117
   119  N      5.330145   -8.829878    5.053608    24   120
   120  N      4.694426   -9.138070    4.182994    24   119
   121  N     -3.457028   -6.325151    3.186470    24   122
   122  N     -4.478457   -6.551213    2.783148    24   121
   123  N     -4.231031    4.815612    2.587982    24   124
   124  N     -3.565800    4.478720    3.425276    24   123
   125  N     -7.074457   -2.357357   -6.950752    24   126
   126  N     -6.906408   -2.073345   -8.022286    24   125
   127  N     -2.456960   -7.107363   -3.825968    24   128
   128  N     -1.745353   -7.520220   -4.587712    24   127
   129  N      8.184063   -3.847811   -6.141854    24   130
   130  N      7.826246   -4.491100   -5.296138    24   129
   131  N      7.577050   -5.843582    6.462062    24   132
   132  N      6.832740   -5.872867    5.624067    24   131
   133  N     -7.456007   -5.661932   -4.549035    24   134
   134  N     -7.085635   -5.722046   -3.492484    24   133
   135  N      4.062917    8.570265    0.566310    24   136
   136  N      4.146494    8.682141   -0.546160    24   135
   137  N      8.976190    0.995829   -9.235226    24   138
   138  N      8.596798    0.293041   -8.448308    24   137
   139  N      0.912039   -4.531976   -2.225878    24   140
   140  N     -0.140418   -4.616903   -2.602992    24   139
   141  N     -7.810605   -8.881049    3.328020    24   142
   142  N     -7.658723   -8.081070    4.098770    24   141
   143  N      7.510883    2.619830    2.098296    24   144
   144  N      6.970657    3.452425    2.619860    24   143
   145  N     -2.068906    7.334419   -6.908330    24   146
   146  N     -3.064343    7.847916   -6.958493    24   145
   147  N      0.935311    2.789981   -2.050167    24   148
   148  N      0.289480    2.220741   -1.331866    24   147
   149  N      7.829111   -0.447219   -5.001643    24   150
   150  N      8.663712    0.299128   -5.060776    24   149
   151  N     -7.999798    2.165860    4.728060    24   152
   152  N     -6.961484    2.313311    4.331514    24   151
   153  N      1.179611   -9.067707   -7.488835    24   154
   154  N      1.964329   -8.540962   -6.885637    24   153
   155  N      5.517611    1.604849   -3.067580    24   156
   156  N      4.608411    1.583187   -2.411853    24   155
   157  N      8.166683    8.688315    7.927824    24   158
   158  N      9.032088    8.544481    7.229629    24   157
   159  N     -5.611374    1.701053   -5.699002    24   160
   160  N     -6.264126    2.186386   -6.470661    24   159
   161  N      2.338681   -4.227503   -8.997043    24   162
   162  N      1.984588   -5.291038   -8.972521    24   161
   163  N      3.695219   -4.731947    5.385818    24   164
   164  N      3.618972   -5.832493    5.586004    24   163
   165  N      1.756773   -1.455918   -1.809095    24   166
   166  N      2.396913   -0.607901   -1.451080    24   165
   167  N      6.439959   -1.897954    4.803053    24   168
   168  N      5.695003   -1.175026    4.379372    24   167
   169  N     -1.151025   -2.964896   -8.275347    24   170
   170  N     -1.289373   -1.877105   -8.041554    24   169
   171  N     -2.550194    3.204828   -5.190482    24   172
   172  N     -2.110719    3.345041   -4.168577    24   171
   173  N      2.837769    1.732408    4.656841    24   174
   174  N      2.605227    2.123133    5.681704    24   173
   175  N     -6.694552   -2.713200   -2.704520    24   176
   176  N     -6.172021   -1.721240   -2.712671    24   175
   177  N      3.188225    2.759383    1.117258    24   178
   178  N      4.270977    2.543801    0.921653    24   177
   179  N      7.285149   -4.107989    2.402902    24   180
   180  N      8.187791   -4.758011    2.543609    24   179
   181  N      3.761605   -4.107804   -0.279735    24   182
   182  N      3.789814   -5.223155   -0.390587    24   181
   183  N     -8.132819   -4.361392    5.063149    24   184
   184  N     -7.063880   -4.650741    5.238467    24   183
   185  N      7.081935   -8.072234    1.326301    24   186
   186  N      6.990941   -9.164682    1.091000    24   185
   187  N      6.208554   -2.232883    8.138587    24   188
   188  N      5.821689   -3.203665    8.544795    24   187
   189  N      5.081432   -1.148587    0.150466    24   190
   190  N      5.316465   -1.206956    1.245200    24   189
   191  N      1.018136    6.165241   -0.220733    24   192
   192  N     -0.027934    6.195123    0.181676    24   191
   193  N      5.514046    6.235287    3.014440    24   194
   194  N      4.518982    5.720941    2.965590    24   193
   195  N     -1.073622    0.351222    5.199586    24   196
   196  N     -0.937839    1.462967    5.147877    24   195
   197  N     -6.244189   -2.006749    1.144973    24   198
   198  N     -6.690202   -3.034657    1.105351    24   197
   199  N      1.453498    7.943381    3.621192    24   200
   200  N      1.606804    7.405555    2.649426    24   199
   201  N     -4.452806   -3.901996    8.824240    24   202
   202  N     -4.138682   -3.024002    8.201711    24   201
   203  N      0.560576    4.278114    3.842102    24   204
   204  N      0.359145    3.537897    3.024426    24   203
   205  N      8.572247   -8.063013   -6.035125    24   206
   206  N      8.909037   -7.373075   -6.852222    24   205
   207  N      8.583705    3.515399   -2.847506    24   208
   208  N      7.755013    3.997448   -3.428872    24   207
   209  N      6.077268    2.399931    6.075224    24   210
   210  N      6.483017    1.618272    6.769102    24   209
   211  N     -1.303687   -4.506175    6.559399    24   212
   212  N     -1.272853   -3.398083    6.391259    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.539352    3.275158    0.043223    24     2
     2  N     -8.164972    3.311576    0.972933    24     1
     3  N     -4.680590    1.806597   -3.289049    24     4
     4  N     -5.081327    2.439169   -2.454572    24     3
     5  N     -0.142090   -7.666293    4.836439    24     6
     6  N      0.350375   -6.973579    5.567682    24     5
     7  N     -9.172223    8.007230   -2.848300    24     8
     8  N     -8.628041    8.920533   -2.492164    24     7
     9  N      2.325708    1.827065   -4.900146    24    10
    10  N      3.119667    2.400402   -5.446044    24     9
    11  N     -3.510353    3.867543    6.911195    24    12
    12  N     -4.473435    4.190436    6.436536    24    11
    13  N      4.783906   -5.307408   -4.901250    24    14
    14  N      4.229889   -5.782583   -5.752345    24    13
    15  N     -4.843097    5.043239   -8.229613    24    16
    16  N     -4.214421    4.411913   -7.548964    24    15
    17  N     -5.130045   -6.531109   -6.447906    24    18
    18  N     -4.335114   -6.636321   -7.231555    24    17
    19  N      3.494293    6.329342   -8.380827    24    20
    20  N      2.507482    5.858422   -8.132779    24    19
    21  N      0.011238    7.802488   -2.604004    24    22
    22  N     -1.106813    7.886240   -2.609909    24    21
    23  N      2.436433    5.884077   -4.334972    24    24
    24  N      1.500908    5.287383   -4.495721    24    23
    25  N     -3.372055   -1.575305   -1.316520    24    26
    26  N     -2.618196   -2.359982   -1.046213    24    25
    27  N      0.727528   -4.483060   -5.548889    24    28
    28  N      1.016545   -5.541303   -5.317200    24    27
    29  N     -1.619906    0.296786    0.594589    24    30
    30  N     -1.262452    1.152339    1.224942    24    29
    31  N      4.168164    4.589647   -0.727520    24    32
    32  N      3.574042    4.326603   -1.641258    24    31
    33  N      2.458518   -6.845568    1.771198    24    34
    34  N      2.784348   -7.090111    0.726629    24    33
    35  N     -8.057032    0.427497   -1.169056    24    36
    36  N     -7.692113    0.240941   -2.212665    24    35
    37  N     -6.089069    5.927846   -2.775127    24    38
    38  N     -5.162825    6.154314   -2.185318    24    37
    39  N     -2.179561    1.735539   -6.379864    24    40
    40  N     -2.126113    0.708649   -5.932951    24    39
    41  N     -6.221881    8.338482   -5.685049    24    42
    42  N     -5.184578    7.916231   -5.737920    24    41
    43  N      8.736059   -2.684769   -1.453812    24    44
    44  N      8.833636   -3.763554   -1.743284    24    43
    45  N     -8.607874   -0.362472    6.293522    24    46
    46  N     -9.258759   -0.406892    7.205369    24    45
    47  N      5.696539    6.166158   -4.232587    24    48
    48  N      5.447308    6.998813   -4.940864    24    47
    49  N     -7.665374   -6.076563    8.066995    24    50
    50  N     -7.051000   -6.511135    8.898126    24    49
    51  N     -4.467630   -6.008818   -0.328433    24    52
    52  N     -3.375616   -6.199524   -0.496438    24    51
    53  N      6.823985   -7.211554   -3.010038    24    54
    54  N      7.080086   -7.201684   -1.918523    24    53
    55  N      4.193638    2.900197   -9.240166    24    56
    56  N      4.418659    2.000823   -8.609625    24    55
    57  N     -7.088845    5.565672    7.700693    24    58
    58  N     -7.424077    4.578389    7.288408    24    57
    59  N     -0.120171   -1.648847   -4.217825    24    60
    60  N     -0.596011   -1.439346   -3.224459    24    59
    61  N     -1.252143   -9.251940    0.702532    24    62
    62  N     -1.155541   -8.318669    1.316343    24    61
    63  N     -9.211794    5.389182    4.575351    24    64
    64  N     -9.058150    5.836658    3.558863    24    63
    65  N     -8.900686   -2.312473    2.710152    24    66
    66  N     -9.335359   -1.283444    2.613985    24    65
    67  N      2.420729   -7.407876   -3.217414    24    68
    68  N      1.917251   -7.962000   -2.382820    24    67
    69  N     -4.619475    8.320892    4.920736    24    70
    70  N     -4.297326    7.421180    5.507106    24    69
    71  N      2.436540   -1.855250    6.749003    24    72
    72  N      1.488821   -1.292499    6.954506    24    71
    73  N      0.818742   -0.428232   -7.563263    24    74
    74  N      0.309311   -0.049020   -8.487259    24    73
    75  N     -4.971859   -9.188339   -1.574027    24    76
    76  N     -4.664230   -9.069239   -2.645600    24    75
    77  N      3.337509   -1.276287   -6.112961    24    78
    78  N      3.358715   -2.003468   -5.259822    24    77
    79  N      2.225142    8.838331    8.278385    24    80
    80  N      2.130763    8.719678    7.167483    24    79
    81  N     -0.480955   -3.879682    3.208360    24    82
    82  N     -0.254310   -2.910686    2.691862    24    81
    83  N     -2.129967    7.390819    7.768362    24    84
    84  N     -1.276199    8.117069    7.795381    24    83
    85  N      5.410640   -7.855327   -8.423311    24    86
    86  N      4.716643   -7.073652   -8.828825    24    85
    87  N     -5.250539    0.753167    9.039168    24    88
    88  N     -5.660674    0.971677    8.018809    24    87
    89  N     -3.055382   -3.871219   -3.729650    24    90
    90  N     -2.611111   -4.073778   -4.738948    24    89
    91  N     -8.041359   -6.696908    0.741519    24    92
    92  N     -8.257252   -5.600863    0.645788    24    91
    93  N     -0.432267   -6.439719   -9.111373    24    94
    94  N     -0.077320   -6.793044   -8.108246    24    93
    95  N     -9.023627    5.423852   -7.127206    24    96
    96  N     -8.429755    6.011779   -6.379712    24    95
    97  N      6.623115    5.090148    7.997605    24    98
    98  N      7.012775    6.057515    7.585958    24    97
    99  N     -5.232874   -1.360514    5.571839    24   100
   100  N     -5.283723   -1.296110    4.453645    24    99
   101  N     -7.257249    7.579438    0.350603    24   102
   102  N     -7.425057    8.143571    1.304901    24   101
   103  N     -5.350501    8.915704    8.579511    24   104
   104  N     -6.097278    8.264787    9.104603    24   103
   105  N     -2.744611    4.928970   -0.321984    24   106
   106  N     -2.556943    3.890634   -0.701098    24   105
   107  N      3.035742   -2.346297    2.683240    24   108
   108  N      3.556192   -3.337533    2.622634    24   107
   109  N      8.091223    5.508106   -0.701272    24   110
   110  N      7.040324    5.710374   -1.035614    24   109
   111  N     -2.879192   -7.001489    6.762651    24   112
   112  N     -3.897529   -6.877412    7.215070    24   111
   113  N     -5.275215    1.582396    1.211814    24   114
   114  N     -4.751065    0.600156    1.344336    24   113
   115  N      0.404636    2.687688    7.837538    24   116
   116  N     -0.301855    3.062683    8.623246    24   115
   117  N      4.123833    5.561163    5.740444    24   118
   118  N      3.156059    5.140297    6.119090    24   117
   119  N      5.968550    8.719565    4.547424    24   120
   120  N      5.517017    8.956300    5.546006    24   119
   121  N     -3.715706   -5.210196    2.954344    24   122
   122  N     -3.665766   -5.368324    4.063214    24   121
   123  N     -5.053541    5.204664    2.502699    24   124
   124  N     -5.906594    5.093201    3.221704    24   123
   125  N     -7.777316   -1.086330   -7.908034    24   126
   126  N     -7.582836   -2.170615   -7.699239    24   125
   127  N     -1.919305   -7.090208   -4.698151    24   128
   128  N     -1.301545   -7.941654   -4.310205    24   127
   129  N      8.294572   -4.646605   -6.927244    24   130
   130  N      8.973678   -5.533123   -7.027196    24   129
   131  N      7.034895   -4.769116    7.917563    24   132
   132  N      7.002770   -4.435290    6.847695    24   131
   133  N     -7.134969   -6.434282   -3.085244    24   134
   134  N     -7.100105   -5.603317   -2.333333    24   133
   135  N      5.066994    8.388610   -1.570597    24   136
   136  N      4.380458    7.899804   -0.831118    24   135
   137  N      8.406177    2.646192   -8.976848    24   138
   138  N      9.392228    2.114945   -9.027533    24   137
   139  N      0.138784   -4.303157   -0.569532    24   140
   140  N      0.256335   -4.511919   -1.664836    24   139
   141  N     -8.734544   -8.935312    4.355674    24   142
   142  N     -9.010100   -7.947723    3.901992    24   141
   143  N      7.311060    2.118335    0.210527    24   144
   144  N      6.330418    2.544869    0.547423    24   143
   145  N     -1.394023    7.487305   -6.092222    24   146
   146  N     -1.405985    7.551630   -7.211511    24   145
   147  N      1.109451    2.097229   -1.605134    24   148
   148  N     -0.000559    2.087928   -1.762874    24   147
   149  N      7.047385    1.523288   -6.011600    24   150
   150  N      7.376920    0.469927   -6.208899    24   149
   151  N     -6.832881    1.919530    4.682270    24   152
   152  N     -7.281906    1.704072    3.677760    24   151
   153  N      2.211656   -9.519145   -6.196822    24   154
   154  N      2.657636   -8.561955   -6.573624    24   153
   155  N      5.628869    2.209136   -2.596908    24   156
   156  N      4.977817    1.341268   -2.879798    24   155
   157  N      7.924627   -8.423818    7.991991    24   158
   158  N      7.989858   -9.335468    8.641396    24   157
   159  N     -7.541986    0.812160   -5.446230    24   160
   160  N     -7.057216    1.594871   -6.086116    24   159
   161  N      3.901967   -4.020697   -8.510087    24   162
   162  N      2.857741   -3.765178   -8.828507    24   161
   163  N      3.380308   -5.191350    5.131021    24   164
   164  N      3.983723   -5.458465    6.037459    24   163
   165  N      2.955007   -1.122374   -0.700493    24   166
   166  N      2.056423   -1.646412   -1.118845    24   165
   167  N      6.193698   -1.357972    4.314150    24   168
   168  N      6.484698   -1.307141    5.395733    24   167
   169  N     -1.584406   -3.412809   -7.867287    24   170
   170  N     -2.162056   -2.523055   -7.504320    24   169
   171  N     -2.676193    4.892375   -4.405071    24   172
   172  N     -1.740979    4.626857   -3.846536    24   171
   173  N      3.717757    1.299665    5.148517    24   174
   174  N      4.673202    1.576368    5.665862    24   173
   175  N     -6.785459   -2.996628   -4.430956    24   176
   176  N     -6.008102   -3.689300   -4.846903    24   175
   177  N      2.295569    1.138480    1.469503    24   178
   178  N      3.380412    1.183349    1.749134    24   177
   179  N      6.420092   -5.435503    2.132888    24   180
   180  N      5.515000   -5.960215    2.536093    24   179
   181  N      5.174397   -4.254914   -1.706430    24   182
   182  N      4.854520   -4.861336   -0.819286    24   181
   183  N     -7.759869   -4.514456    5.289991    24   184
   184  N     -6.737479   -4.105808    5.078294    24   183
   185  N      7.601163   -8.642896    1.417873    24   186
   186  N      7.979010   -9.325870    0.612970    24   185
   187  N      6.516741   -0.943012    9.075133    24   188
   188  N      5.783714   -1.686691    8.666842    24   187
   189  N      6.121363   -0.861436    0.831058    24   190
   190  N      5.852406   -1.898188    0.499550    24   189
   191  N      0.519334    5.655942    0.293536    24   192
   192  N      0.795804    4.586872    0.099259    24   191
   193  N      5.957373    5.380810    2.131119    24   194
   194  N      5.133454    5.058372    2.819798    24   193
   195  N     -2.029592    0.571988    5.873655    24   196
   196  N     -2.926172    0.841950    6.490382    24   195
   197  N     -6.560140   -2.694419    0.205202    24   198
   198  N     -5.693844   -3.158639    0.744759    24   197
   199  N      1.373151    7.734593    3.756669    24   200
   200  N      1.231025    8.251580    2.771979    24   199
   201  N     -4.431528   -3.092584    8.087359    24   202
   202  N     -5.272332   -3.833500    8.052994    24   201
   203  N     -0.124000    3.250039    4.347312    24   204
   204  N     -1.218153    3.305018    4.108783    24   203
   205  N      8.886931   -8.878574   -6.773006    24   206
   206  N      8.212249   -9.079604   -5.900377    24   205
   207  N      8.329145    4.430947   -3.882690    24   208
   208  N      8.978767    3.636262   -3.431517    24   207
   209  N      7.886350    1.953354    4.911969    24   210
   210  N      7.321378    1.576221    4.019967    24   209
   211  N     -0.497495   -3.952509    6.423926    24   212
   212  N     -1.456217   -3.775231    6.977564    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.039663    3.597907    0.101925    24     2
     2  N     -7.405300    3.122584    1.049272    24     1
     3  N     -5.563456    1.180737   -3.334163    24     4
     4  N     -5.119407    1.100788   -2.307753    24     3
     5  N     -0.372231   -6.782991    4.828648    24     6
     6  N     -1.476798   -6.659285    4.681276    24     5
     7  N     -8.547194    7.129837   -2.908891    24     8
     8  N     -7.684250    7.799398   -3.162079    24     7
     9  N      3.065946    2.160965   -6.695436    24    10
    10  N      4.135955    1.842756   -6.590965    24     9
    11  N     -3.530555    5.549422    7.245881    24    12
    12  N     -4.377410    5.087374    6.674535    24    11
    13  N      5.045899   -6.226024   -5.075885    24    14
    14  N      4.177387   -6.521241   -4.431196    24    13
    15  N     -5.584379    5.657329   -7.857380    24    16
    16  N     -4.664742    5.116927   -7.511950    24    15
    17  N     -3.730163   -7.397607   -6.931180    24    18
    18  N     -4.417720   -6.562332   -6.636780    24    17
    19  N      3.011093    5.802299   -7.884690    24    20
    20  N      1.972729    6.147739   -8.128739    24    19
    21  N     -0.452601    7.814759   -2.163379    24    22
    22  N     -1.456621    7.362827   -1.951737    24    21
    23  N      1.848567    5.662239   -3.743109    24    24
    24  N      2.327905    6.033027   -4.686424    24    23
    25  N     -2.388249   -0.888423   -1.507768    24    26
    26  N     -2.759303   -1.683858   -2.205400    24    25
    27  N      1.031110   -4.594253   -5.434517    24    28
    28  N      0.255692   -4.657760   -4.627186    24    27
    29  N     -0.241306    1.529359    0.369125    24    30
    30  N     -0.339770    0.896032    1.289066    24    29
    31  N      3.648017    4.111621   -1.557523    24    32
    32  N      4.635217    4.453739   -1.964316    24    31
    33  N      2.355860   -7.040897    3.141389    24    34
    34  N      2.131404   -7.565194    2.176080    24    33
    35  N     -9.058335    0.456676   -1.116717    24    36
    36  N     -8.509909   -0.454186   -0.760839    24    35
    37  N     -5.603408    4.951579   -2.962385    24    38
    38  N     -4.877487    4.571955   -3.727900    24    37
    39  N     -3.121483    0.769638   -6.040985    24    40
    40  N     -3.298793    1.386870   -6.960047    24    39
    41  N     -4.201761    8.597057   -4.665824    24    42
    42  N     -4.789239    7.651547   -4.799871    24    41
    43  N      6.382824   -3.986887   -2.559906    24    44
    44  N      7.086737   -3.243030   -2.103536    24    43
    45  N     -9.179423   -1.690011    6.483569    24    46
    46  N     -8.292448   -1.086577    6.157635    24    45
    47  N      6.657351    6.721983   -4.899969    24    48
    48  N      5.880931    6.871831   -4.105107    24    47
    49  N     -8.363425   -5.675824    8.564052    24    50
    50  N     -7.668210   -4.823931    8.783241    24    49
    51  N     -2.732596   -6.174000   -0.761376    24    52
    52  N     -1.699149   -5.871040   -0.449460    24    51
    53  N      7.555961   -7.870235   -3.281482    24    54
    54  N      7.852921   -7.269224   -2.382767    24    53
    55  N      2.288885    2.709473    8.543079    24    56
    56  N      2.176900    2.139846    7.583874    24    55
    57  N     -7.989122    5.460958    6.308391    24    58
    58  N     -7.351720    5.429193    7.230235    24    57
    59  N     -0.231498   -1.212521   -4.399363    24    60
    60  N      0.800522   -0.800658   -4.549003    24    59
    61  N     -1.614665   -8.377272    1.786132    24    62
    62  N     -1.690226   -9.441055    1.440087    24    61
    63  N      8.149940    6.046834    3.478178    24    64
    64  N      9.197798    5.760774    3.200234    24    63
    65  N     -7.930103   -1.136349    2.258804    24    66
    66  N     -8.917070   -1.232518    2.782003    24    65
    67  N      1.870157   -6.683365   -1.306235    24    68
    68  N      1.718768   -7.246979   -2.263581    24    67
    69  N     -4.650747    8.215439    4.128880    24    70
    70  N     -4.550271    9.048529    3.385270    24    69
    71  N      2.283447   -0.920725    6.368085    24    72
    72  N      1.274041   -1.086125    5.908919    24    71
    73  N      0.472323   -1.180025   -7.753790    24    74
    74  N      0.830847   -0.518635   -8.585123    24    73
    75  N     -4.689144    8.481012   -1.221716    24    76
    76  N     -4.357876    9.070051   -0.327075    24    75
    77  N      4.692129   -1.799465   -5.965050    24    78
    78  N      3.851932   -1.704608   -5.228736    24    77
    79  N      1.800886    8.942584    7.231221    24    80
    80  N      2.411865    9.190532    8.138037    24    79
    81  N     -0.769112   -3.700138    3.303654    24    82
    82  N     -0.836426   -3.992985    2.223468    24    81
    83  N     -1.709063    8.212524    6.177358    24    84
    84  N     -2.031862    8.872708    7.024143    24    83
    85  N      6.077800   -8.772004   -7.484642    24    86
    86  N      5.936580   -7.780528   -7.988747    24    85
    87  N     -6.232686    1.805899    9.116489    24    88
    88  N     -5.273116    2.276528    8.777635    24    87
    89  N     -4.105513   -3.990536   -3.788859    24    90
    90  N     -3.141000   -4.382111   -4.205361    24    89
    91  N     -8.797861   -5.380634    1.144258    24    92
    92  N     -8.974369   -4.301754    0.895358    24    91
    93  N     -0.076273   -6.949739    8.580635    24    94
    94  N     -0.851655   -6.984289    9.389757    24    93
    95  N     -8.578698    5.354573   -6.497870    24    96
    96  N     -9.018017    5.790791   -7.432645    24    95
    97  N      6.199255    4.701221    8.485248    24    98
    98  N      5.177230    4.281928    8.293555    24    97
    99  N     -3.825247   -1.727165    4.926966    24   100
   100  N     -3.330364   -1.184204    4.079987    24    99
   101  N     -8.106905    8.293301    0.517616    24   102
   102  N     -7.242737    7.624233    0.767917    24   101
   103  N     -5.103400    8.829872    8.890185    24   104
   104  N     -5.266112    8.122998    8.035233    24   103
   105  N     -2.326884    4.337166   -0.032874    24   106
   106  N     -2.453500    4.113907   -1.124301    24   105
   107  N      3.175139   -2.705114    2.723313    24   108
   108  N      2.071254   -2.698665    2.527135    24   107
   109  N      7.221984    6.482347    0.055997    24   110
   110  N      7.095697    6.880220   -0.984597    24   109
   111  N     -4.295790   -5.636505    8.283189    24   112
   112  N     -4.736791   -5.906715    7.288406    24   111
   113  N     -4.434656    1.618468    1.285343    24   114
   114  N     -3.994512    0.629709    0.992564    24   113
   115  N     -0.712175    4.603851   -8.820421    24   116
   116  N     -1.008251    3.590589   -8.442629    24   115
   117  N      1.669604    5.282736    6.538889    24   118
   118  N      1.808388    4.841788    5.517423    24   117
   119  N      4.794081    7.358146    5.292005    24   120
   120  N      5.075413    8.099528    4.499354    24   119
   121  N     -4.702911   -5.957195    3.834620    24   122
   122  N     -3.985206   -5.272752    3.311623    24   121
   123  N     -4.578338    4.530033    2.993017    24   124
   124  N     -4.914993    5.010456    2.037534    24   123
   125  N      8.143464   -1.182088   -8.386939    24   126
   126  N      9.230204   -1.140807   -8.659670    24   125
   127  N     -1.094622   -7.890584   -4.359318    24   128
   128  N     -2.083447   -7.645605   -3.891025    24   127
   129  N     -8.894160   -4.608414   -5.448964    24   130
   130  N     -9.220894   -5.629282   -5.777845    24   129
   131  N      5.691622   -4.946002    8.251408    24   132
   132  N      6.737788   -5.189886    8.572573    24   131
   133  N     -6.488431   -6.556409   -2.177399    24   134
   134  N     -6.373137   -7.103484   -3.149255    24   133
   135  N      3.648481    7.655409   -0.676688    24   136
   136  N      4.007144    8.557631   -1.237442    24   135
   137  N      9.369547    2.031868    7.501501    24   138
   138  N      8.355066    1.703568    7.848108    24   137
   139  N      1.110444   -3.521468   -0.691230    24   140
   140  N      0.212194   -3.534416   -1.362102    24   139
   141  N     -8.181010   -8.432524    4.405005    24   142
   142  N     -8.128628   -9.394320    3.831164    24   141
   143  N      7.528853    2.796916    0.109705    24   144
   144  N      6.438877    2.547485    0.192325    24   143
   145  N     -1.898355    8.477269   -7.458693    24   146
   146  N     -1.458084    8.069683   -8.405860    24   145
   147  N      1.308396    1.969017   -3.164277    24   148
   148  N      0.250932    2.142608   -2.834540    24   147
   149  N      7.279380    1.536800   -6.197643    24   150
   150  N      7.452432    2.171733   -7.105388    24   149
   151  N     -5.037154    1.822304    5.167133    24   152
   152  N     -6.067525    2.022987    4.773244    24   151
   153  N      2.908417    8.899893   -6.612351    24   154
   154  N      1.965698    9.301151   -6.156979    24   153
   155  N      6.003716    1.375855   -2.911048    24   156
   156  N      5.610599    0.642037   -3.662087    24   155
   157  N      8.982078    8.303573    8.588556    24   158
   158  N      8.559897    8.021284    7.588974    24   157
   159  N     -6.917869    2.715902   -5.835609    24   160
   160  N     -7.705533    2.052842   -6.279487    24   159
   161  N      3.350763   -3.403854   -8.559275    24   162
   162  N      2.510133   -3.425337   -9.300873    24   161
   163  N      2.778497   -4.997583    6.007208    24   164
   164  N      2.639920   -6.073381    6.291011    24   163
   165  N      4.066937   -2.019126   -1.107644    24   166
   166  N      3.142900   -1.493470   -0.751373    24   165
   167  N      5.957776   -3.357383    5.216378    24   168
   168  N      6.343828   -2.583754    4.502550    24   167
   169  N     -1.874733   -3.715165   -7.548362    24   170
   170  N     -2.572549   -2.999192   -8.055829    24   169
   171  N     -2.112597    3.938413   -5.176840    24   172
   172  N     -1.662852    4.845297   -4.694782    24   171
   173  N      5.487144    1.888340    5.548127    24   174
   174  N      4.785852    1.720976    4.689486    24   173
   175  N     -5.565225   -1.052383   -7.049190    24   176
   176  N     -5.264017   -2.054080   -6.645501    24   175
   177  N      3.449506    1.081649    1.360578    24   178
   178  N      2.796782    1.720372    2.011019    24   177
   179  N      7.273901   -7.563371    5.677558    24   180
   180  N      6.719019   -7.816006    6.618499    24   179
   181  N      5.291783   -5.589767    0.256230    24   182
   182  N      4.593601   -5.409698    1.114838    24   181
   183  N     -8.908394   -4.819459    4.390472    24   184
   184  N     -8.150942   -5.131651    5.155908    24   183
   185  N      6.965505   -7.871650    1.164054    24   186
   186  N      7.371270   -8.501976    1.997801    24   185
   187  N      5.511619   -0.348214    7.928411    24   188
   188  N      4.952491   -0.038336    8.849518    24   187
   189  N      6.033768   -1.553913    1.444299    24   190
   190  N      6.796849   -0.814496    1.086444    24   189
   191  N      1.489962    4.450807    2.028980    24   192
   192  N      1.268217    4.581041    0.937669    24   191
   193  N      4.842576    5.281831    2.283231    24   194
   194  N      5.009539    4.242660    2.669673    24   193
   195  N     -1.995971    0.866308    7.449337    24   196
   196  N     -1.728512   -0.201857    7.238200    24   195
   197  N     -5.692888   -3.899590    0.058189    24   198
   198  N     -6.107671   -2.858539    0.093663    24   197
   199  N      1.042820    7.870112    3.406214    24   200
   200  N      2.048413    7.961340    3.893605    24   199
   201  N     -4.561177   -1.386254    7.837075    24   202
   202  N     -5.678266   -1.476701    7.869056    24   201
   203  N     -1.943669    2.824298    4.659380    24   204
   204  N     -0.860860    2.800127    4.369500    24   203
   205  N     -8.166378   -9.409034   -6.522006    24   206
   206  N     -7.475808   -8.833478   -7.192035    24   205
   207  N      8.613431    3.378212   -3.495526    24   208
   208  N      9.548740    2.978146   -3.024109    24   207
   209  N      8.330440    2.412847    3.609921    24   210
   210  N      9.050638    2.806566    4.373720    24   209
   211  N     -0.667248   -3.970043    7.011073    24   212
   212  N     -1.758730   -3.939352    6.756489    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.734494    4.662275   -0.821246    24     2
     2  N     -7.250059    4.175559    0.065048    24     1
     3  N     -7.335710    0.508802   -3.129525    24     4
     4  N     -7.222477    1.114898   -2.193087    24     3
     5  N     -1.085123   -7.950832    5.195826    24     6
     6  N     -1.590684   -8.010652    4.196866    24     5
     7  N     -7.741646    7.988013   -3.533934    24     8
     8  N     -8.814526    7.717342   -3.352948    24     7
     9  N      3.644892    4.126827   -5.685270    24    10
    10  N      3.268054    3.107256   -5.410394    24     9
    11  N     -3.650119    5.046820    6.133797    24    12
    12  N     -3.403852    4.618681    7.140344    24    11
    13  N      4.922600   -6.100825   -3.528099    24    14
    14  N      4.880576   -7.217637   -3.438350    24    13
    15  N     -4.806011    5.950424   -8.218298    24    16
    16  N     -3.913321    6.602642   -8.031741    24    15
    17  N     -4.633439   -5.827753   -8.476913    24    18
    18  N     -5.181613   -5.241257   -7.694213    24    17
    19  N      2.375482    7.075066   -8.687761    24    20
    20  N      2.234467    6.146790   -9.300547    24    19
    21  N     -1.157835    8.059670   -2.487726    24    22
    22  N     -1.853047    7.192420   -2.340597    24    21
    23  N      1.837154    6.407425   -2.633971    24    24
    24  N      2.496415    6.911919   -3.387596    24    23
    25  N     -3.768280    1.014797   -3.283180    24    26
    26  N     -3.451994    0.290441   -2.487968    24    25
    27  N      1.756743   -4.530982   -4.440367    24    28
    28  N      1.904386   -4.755149   -5.528962    24    27
    29  N     -0.028678   -0.741560    0.795676    24    30
    30  N      0.246622   -1.034047    1.842456    24    29
    31  N      4.399700    4.245603   -1.528287    24    32
    32  N      5.136186    3.628490   -2.106084    24    31
    33  N      2.078977   -5.992153    1.838473    24    34
    34  N      1.962417   -6.873058    2.522219    24    33
    35  N     -9.371307   -1.710690   -0.712085    24    36
    36  N     -8.418482   -1.300807   -0.286401    24    35
    37  N     -5.180590    5.046280   -3.829543    24    38
    38  N     -4.537571    5.957510   -3.944772    24    37
    39  N     -2.477186    1.498456   -6.725306    24    40
    40  N     -2.841351    0.684290   -7.404722    24    39
    41  N     -4.307734   -9.165724   -5.563617    24    42
    42  N     -4.507487   -8.885154   -4.496627    24    41
    43  N      8.180910   -3.870620   -2.969897    24    44
    44  N      7.921615   -2.978108   -3.597016    24    43
    45  N     -9.332772   -2.304500    6.653052    24    46
    46  N     -8.757632   -1.761012    7.447360    24    45
    47  N      6.160249    6.038322   -4.505186    24    48
    48  N      6.054829    7.083474   -4.897145    24    47
    49  N     -8.441861   -5.539283    8.989850    24    50
    50  N     -7.662321   -5.472604    8.186756    24    49
    51  N     -2.520986   -7.453685   -2.152841    24    52
    52  N     -3.503881   -7.180142   -1.687889    24    51
    53  N      7.165660   -7.666719   -0.737812    24    54
    54  N      7.892238   -7.844739   -1.572966    24    53
    55  N      2.593053    2.742747    7.707176    24    56
    56  N      2.560726    3.023069    8.792286    24    55
    57  N     -7.249296    5.412210    6.108385    24    58
    58  N     -8.067060    4.665096    5.934685    24    57
    59  N     -0.513761   -1.081549   -4.851292    24    60
    60  N      0.570976   -1.302348   -4.673291    24    59
    61  N     -1.628972    8.103434    1.308205    24    62
    62  N     -1.152132    9.032838    0.900869    24    61
    63  N      8.475503    5.092119    3.040241    24    64
    64  N      8.978462    5.635282    2.198162    24    63
    65  N     -7.254812   -2.412223    3.473742    24    66
    66  N     -8.212879   -2.721638    2.980326    24    65
    67  N      1.508751   -6.334929   -1.593895    24    68
    68  N      1.573389   -7.310970   -2.141851    24    67
    69  N     -3.930825    7.930104    4.196656    24    70
    70  N     -4.571230    7.903834    3.276720    24    69
    71  N      2.915173   -0.561052    6.996594    24    72
    72  N      2.119037   -0.864533    6.267787    24    71
    73  N      0.592448    0.738213   -8.658358    24    74
    74  N      0.695077    0.803091   -7.543751    24    73
    75  N     -4.575044    6.689272   -0.171634    24    76
    76  N     -4.993978    7.284620   -1.024361    24    75
    77  N      4.036830   -2.138949   -5.711036    24    78
    78  N      4.884745   -2.572843   -5.119543    24    77
    79  N      3.689223    8.565641    6.571011    24    80
    80  N      3.380106    9.547868    7.014593    24    79
    81  N     -2.141838   -4.322749    1.757889    24    82
    82  N     -1.157331   -4.764355    2.062558    24    81
    83  N     -0.918312    7.815283    7.247407    24    84
    84  N     -1.969268    7.571007    7.552218    24    83
    85  N      6.572878    9.211895   -7.402600    24    86
    86  N      5.539913    8.852732   -7.649733    24    85
    87  N     -6.053576    2.902179    8.163248    24    88
    88  N     -5.698385    2.851708    9.225501    24    87
    89  N     -3.983776   -4.584209   -4.028325    24    90
    90  N     -3.288851   -3.900755   -3.474196    24    89
    91  N     -8.730116   -6.141656    1.156259    24    92
    92  N     -9.369871   -5.541049    1.854165    24    91
    93  N     -1.599548   -6.585841    8.729497    24    94
    94  N     -1.877885   -7.667137    8.831552    24    93
    95  N     -8.997158    6.269824   -6.471306    24    96
    96  N     -8.250455    5.513354   -6.828066    24    95
    97  N      5.719114    5.242119    9.135050    24    98
    98  N      5.919482    6.244151    8.673666    24    97
    99  N     -3.488735   -1.364655    3.962610    24   100
   100  N     -2.523143   -1.487862    3.406246    24    99
   101  N     -7.196383    9.136089    0.733203    24   102
   102  N     -7.974036    8.793020    1.464400    24   101
   103  N     -5.226434   -9.005385    8.690822    24   104
   104  N     -6.017444   -8.902746    7.902876    24   103
   105  N     -2.107747    2.871048   -1.071160    24   106
   106  N     -2.010754    3.908584   -0.657396    24   105
   107  N      3.055077   -2.495681    2.467728    24   108
   108  N      3.026998   -3.199455    3.340083    24   107
   109  N      7.479234    5.913060   -1.247265    24   110
   110  N      7.815725    6.786366   -0.629852    24   109
   111  N     -5.250476   -5.422639    5.566305    24   112
   112  N     -4.721542   -6.302571    5.115709    24   111
   113  N     -5.422277    1.420317    0.516595    24   114
   114  N     -6.214095    1.174407    1.271343    24   113
   115  N     -1.686436    4.034257   -8.272731    24   116
   116  N     -0.808671    4.590048   -8.694291    24   115
   117  N     -0.274717    4.858861    5.999712    24   118
   118  N      0.744381    4.807563    5.535064    24   117
   119  N      5.878628    5.994961    5.265549    24   120
   120  N      6.416519    6.922594    4.938042    24   119
   121  N     -5.570862   -5.625726    2.131959    24   122
   122  N     -4.972057   -6.441039    1.648442    24   121
   123  N     -6.019623    4.608754    3.398137    24   124
   124  N     -5.069780    4.386930    2.845251    24   123
   125  N      8.778569   -0.261887   -6.350420    24   126
   126  N      8.345250   -0.831748   -7.213313    24   125
   127  N     -0.361840   -7.687467   -5.289409    24   128
   128  N     -0.862128   -6.713885   -5.046636    24   127
   129  N     -8.075581   -5.331168   -5.254984    24   130
   130  N     -8.520389   -4.615405   -5.994524    24   129
   131  N      7.120469   -3.774139   -8.229812    24   132
   132  N      6.570224   -4.117573   -7.315277    24   131
   133  N     -6.886600   -7.007201   -1.674588    24   134
   134  N     -7.296685   -7.174602   -2.704586    24   133
   135  N      4.414896    8.380871   -0.360154    24   136
   136  N      3.839755    9.282881   -0.695832    24   135
   137  N      7.590360    2.721210    7.762667    24   138
   138  N      8.220515    2.048302    8.400780    24   137
   139  N     -0.747272   -3.722755   -1.238742    24   140
   140  N     -0.450583   -3.254598   -2.213368    24   139
   141  N     -8.051891    8.849882    4.874294    24   142
   142  N     -7.011999    8.532197    5.147771    24   141
   143  N      7.604067    2.885210    0.522675    24   144
   144  N      7.695884    1.785549    0.324172    24   143
   145  N     -1.022016    7.224531   -6.311428    24   146
   146  N     -0.699097    7.626995   -7.306835    24   145
   147  N      1.646473    1.303853   -2.025669    24   148
   148  N      0.633754    1.501822   -2.464187    24   147
   149  N      7.261322    3.306199   -6.181944    24   150
   150  N      6.935025    2.243605   -6.328619    24   149
   151  N     -5.093314    1.534133    5.355364    24   152
   152  N     -4.072295    1.495168    4.893747    24   151
   153  N      1.696634   -7.699729   -7.700216    24   154
   154  N      2.786500   -7.576380   -7.467696    24   153
   155  N      6.334511    0.421628   -3.370943    24   156
   156  N      5.506928   -0.246394   -3.016057    24   155
   157  N      9.052832    6.973961    8.521830    24   158
   158  N      8.708837    7.982619    8.173456    24   157
   159  N     -6.351168    2.681478   -5.840028    24   160
   160  N     -6.585496    1.614042   -6.090551    24   159
   161  N      2.015152   -2.707214   -8.451188    24   162
   162  N      1.070455   -3.156464   -8.854685    24   161
   163  N      2.106688   -4.472067    6.208059    24   164
   164  N      1.999335   -5.449629    5.669600    24   163
   165  N      3.120561   -1.496818   -0.966187    24   166
   166  N      3.366114   -2.456868   -1.490682    24   165
   167  N      5.800262   -2.154227    5.628170    24   168
   168  N      5.101461   -2.963524    5.965519    24   167
   169  N     -2.274684   -2.389735   -8.064897    24   170
   170  N     -2.268752   -3.059444   -7.165707    24   169
   171  N     -1.275271    3.827167   -4.298063    24   172
   172  N     -0.463966    3.732733   -5.066148    24   171
   173  N      4.969312    0.849400    4.145038    24   174
   174  N      5.566861    1.127450    5.052072    24   173
   175  N     -5.586613   -1.403350   -5.966977    24   176
   176  N     -5.823456   -1.888232   -4.984183    24   175
   177  N      2.565126    1.275245    1.543100    24   178
   178  N      3.515475    1.746018    1.179372    24   177
   179  N      6.306418   -7.373364    7.857759    24   180
   180  N      6.638345   -6.361179    7.507909    24   179
   181  N      5.745207   -4.028376   -0.173062    24   182
   182  N      5.544936   -5.079554    0.161612    24   181
   183  N     -9.448070   -5.674112    5.120251    24   184
   184  N     -8.515245   -6.188401    4.770344    24   183
   185  N      7.131975    9.583109    2.491299    24   186
   186  N      7.093614    8.517882    2.143580    24   185
   187  N      5.109851   -0.127424   -8.062695    24   188
   188  N      4.213159    0.518206   -7.872452    24   187
   189  N      7.268338   -1.104791    2.077340    24   190
   190  N      6.533295   -1.929516    2.268732    24   189
   191  N      1.317390    5.762679    0.567371    24   192
   192  N      1.503786    4.657624    0.532733    24   191
   193  N      5.021738    6.144755    1.815995    24   194
   194  N      5.613230    5.239488    1.519822    24   193
   195  N     -1.377196    0.896179    7.092012    24   196
   196  N     -1.207673    0.276764    6.172950    24   195
   197  N     -5.040455   -2.062873   -0.560794    24   198
   198  N     -5.150746   -2.972374    0.085529    24   197
   199  N      0.961709    7.769143    3.705878    24   200
   200  N      2.057444    7.603221    3.535810    24   199
   201  N     -5.687060   -0.874327    8.194148    24   202
   202  N     -5.159005   -1.682169    8.764796    24   201
   203  N     -0.284690    2.314230    3.422085    24   204
   204  N     -0.821935    2.145624    2.452533    24   203
   205  N     -8.149146   -8.082031   -7.078922    24   206
   206  N     -7.907761   -9.114887   -7.442282    24   205
   207  N      8.319184    3.259262   -3.133745    24   208
   208  N      9.055348    3.837712   -3.750629    24   207
   209  N     -9.061640    0.834985    4.264510    24   210
   210  N     -8.771918    1.710863    3.627337    24   209
   211  N     -2.185226   -3.786849    6.865073    24   212
   212  N     -1.597257   -2.833756    6.919807    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.228326    4.924329   -0.488017    24     2
     2  N     -7.143505    4.294460   -0.337019    24     1
     3  N     -7.439754    0.740224   -2.164793    24     4
     4  N     -6.911912    1.705129   -2.382580    24     3
     5  N     -0.620156   -6.582001    4.662829    24     6
     6  N      0.334931   -6.859298    4.145137    24     5
     7  N     -7.957193    7.606470   -3.546241    24     8
     8  N     -7.712106    6.638025   -3.037188    24     7
     9  N      2.286084    3.538300   -7.482865    24    10
    10  N      2.079037    3.111694   -6.466878    24     9
    11  N     -2.597610    4.532164    5.413414    24    12
    12  N     -1.813847    5.317985    5.572444    24    11
    13  N      4.511681   -7.295200   -4.644956    24    14
    14  N      4.447030   -7.165154   -3.533202    24    13
    15  N     -4.721235    5.534717   -7.459564    24    16
    16  N     -4.267462    6.553536   -7.574398    24    15
    17  N     -4.486196   -4.870330   -8.508590    24    18
    18  N     -4.872999   -5.161090   -7.497189    24    17
    19  N      2.304311    7.945037   -9.175426    24    20
    20  N      2.688770    6.897348   -9.067594    24    19
    21  N     -1.593721    6.857800   -3.412251    24    22
    22  N     -0.561046    7.095110   -3.778796    24    21
    23  N      2.530461    6.354449   -5.208193    24    24
    24  N      3.355428    6.940242   -4.725113    24    23
    25  N     -3.652819    1.149500   -2.313827    24    26
    26  N     -3.003264    1.004386   -3.216107    24    25
    27  N      1.227150   -3.495629   -4.590689    24    28
    28  N      1.862652   -4.417016   -4.656028    24    27
    29  N     -0.575325   -0.626574    1.429417    24    30
    30  N      0.138710   -0.553547    2.290759    24    29
    31  N      4.311447    3.486663   -2.168721    24    32
    32  N      3.652674    4.060708   -2.871274    24    31
    33  N      2.751346   -6.986442    1.035482    24    34
    34  N      2.246839   -6.384540    1.835655    24    33
    35  N      8.498181   -2.472135    0.305578    24    36
    36  N      7.715324   -1.880380   -0.236686    24    35
    37  N     -4.109632    4.406639   -3.505444    24    38
    38  N     -4.669634    5.326080   -3.818678    24    37
    39  N     -3.030366    0.581078   -6.660715    24    40
    40  N     -1.976807    0.821753   -6.959342    24    39
    41  N     -4.835534    9.659714   -4.995364    24    42
    42  N     -4.704070    8.546382   -4.978047    24    41
    43  N      7.581304   -4.143180   -2.644886    24    44
    44  N      8.357188   -4.891565   -2.953129    24    43
    45  N      7.949771   -2.026726    8.046098    24    46
    46  N      9.039126   -1.878184    8.265943    24    45
    47  N      7.380802    7.787175   -5.198272    24    48
    48  N      7.153650    7.604590   -4.115612    24    47
    49  N     -8.251855   -5.105929    8.747182    24    50
    50  N     -8.447528   -6.200130    8.600471    24    49
    51  N     -2.109846   -7.195655   -2.496702    24    52
    52  N     -2.745772   -8.117661   -2.547610    24    51
    53  N      6.954360   -8.169627   -0.147068    24    54
    54  N      7.973714   -7.888966   -0.520213    24    53
    55  N      3.808027    2.773581    7.988450    24    56
    56  N      3.983774    1.712687    8.305792    24    55
    57  N     -8.508962    4.337743    7.612324    24    58
    58  N     -8.034202    5.352548    7.655456    24    57
    59  N      0.394812    0.122545   -4.646368    24    60
    60  N      1.112569    0.716432   -4.022501    24    59
    61  N     -0.112728    8.494772    0.238317    24    62
    62  N     -0.695329    9.408637   -0.048941    24    61
    63  N      8.101334    5.423269    2.798370    24    64
    64  N      8.871591    4.960563    3.468965    24    63
    65  N     -8.025501   -2.698784    4.401919    24    66
    66  N     -7.784574   -3.180146    3.418388    24    65
    67  N      1.209976   -7.425166   -2.578152    24    68
    68  N      0.960311   -8.491056   -2.820304    24    67
    69  N     -3.810254    6.764042    3.458317    24    70
    70  N     -4.263565    7.549439    2.798960    24    69
    71  N      2.423210   -0.715850    6.076451    24    72
    72  N      1.457039   -1.216822    5.806948    24    71
    73  N      0.991872   -0.620916   -8.630428    24    74
    74  N      1.245224    0.469989   -8.683618    24    73
    75  N     -5.048507    8.051677   -1.770873    24    76
    76  N     -4.135728    8.059803   -1.119831    24    75
    77  N      4.629839   -1.652314   -4.826175    24    78
    78  N      4.023608   -1.695566   -3.883995    24    77
    79  N      4.842034    8.449040    6.684092    24    80
    80  N      5.683616    9.153439    6.454636    24    79
    81  N     -1.317163   -4.581572    1.553951    24    82
    82  N     -0.370984   -4.074408    1.877404    24    81
    83  N     -0.735594    8.554049    6.473730    24    84
    84  N     -1.741436    8.894160    6.113595    24    83
    85  N      5.669495   -8.955784   -7.451818    24    86
    86  N      5.604305   -9.240927   -8.534192    24    85
    87  N     -5.097002    2.278513    8.621119    24    88
    88  N     -4.500961    2.474963    9.550222    24    87
    89  N     -4.050567   -4.803557   -4.558022    24    90
    90  N     -5.109814   -4.999812   -4.247266    24    89
    91  N     -8.207777   -5.257807    0.353457    24    92
    92  N     -8.258867   -5.620417    1.413169    24    91
    93  N     -1.565331   -6.408656    8.169995    24    94
    94  N     -0.763047   -6.138313    8.905077    24    93
    95  N     -8.163231    6.483521   -6.442398    24    96
    96  N     -8.518187    6.111549   -7.438758    24    95
    97  N      5.856572    4.923866   -8.287924    24    98
    98  N      6.297409    5.736162   -8.922690    24    97
    99  N     -3.499355   -2.259818    3.456367    24   100
   100  N     -4.502821   -2.305215    3.954448    24    99
   101  N     -7.629781    7.631741    1.051225    24   102
   102  N     -8.091069    8.388488    0.364466    24   101
   103  N     -4.953820   -8.233367    8.244385    24   104
   104  N     -4.688481   -9.237558    7.822146    24   103
   105  N     -2.742899    4.398627   -0.209638    24   106
   106  N     -2.485147    5.489768   -0.201612    24   105
   107  N      3.096314   -2.913900    3.014197    24   108
   108  N      2.981855   -3.931058    3.471774    24   107
   109  N      6.684090    4.920366   -0.385129    24   110
   110  N      7.166654    5.929122   -0.303703    24   109
   111  N     -7.029066   -6.022635    5.568507    24   112
   112  N     -6.527855   -7.003155    5.779355    24   111
   113  N     -4.122245   -0.666287    0.077798    24   114
   114  N     -4.477883   -0.093392    0.973568    24   113
   115  N     -0.594024    5.691557    8.982094    24   116
   116  N     -0.950681    4.669376    8.690498    24   115
   117  N      2.097458    5.458714    5.689220    24   118
   118  N      1.581380    5.003407    4.804094    24   117
   119  N      5.247360    4.883127    6.047238    24   120
   120  N      6.223729    5.301637    5.688570    24   119
   121  N     -4.960045   -7.057525    1.826466    24   122
   122  N     -4.720464   -7.187968    2.913974    24   121
   123  N     -6.470974    3.039454    3.100355    24   124
   124  N     -5.941352    4.015411    3.255588    24   123
   125  N      8.411254   -0.438796   -6.522488    24   126
   126  N      8.534581   -0.886696   -5.502064    24   125
   127  N     -1.018889   -6.653510   -6.155379    24   128
   128  N     -0.831033   -5.961771   -5.293232    24   127
   129  N     -8.287228   -4.343776   -6.285634    24   130
   130  N     -7.436897   -3.642401   -6.490816    24   129
   131  N      6.775889   -3.756029   -7.076942    24   132
   132  N      5.766861   -4.142819   -6.778033    24   131
   133  N     -6.757028   -6.675245   -2.222034    24   134
   134  N     -6.690377   -7.453389   -1.417584    24   133
   135  N      4.236473    8.473419   -1.017076    24   136
   136  N      3.168878    8.613432   -0.704463    24   135
   137  N      7.883408    1.415328    8.515134    24   138
   138  N      7.138092    2.028991    7.945036    24   137
   139  N     -2.388026   -2.340628   -2.841337    24   140
   140  N     -1.570439   -2.392345   -2.075852    24   139
   141  N     -7.724977    8.697361    3.802124    24   142
   142  N     -8.659913    9.310077    3.715162    24   141
   143  N      8.158091    2.325030    1.120853    24   144
   144  N      8.766233    1.636386    0.478184    24   143
   145  N     -0.579543    8.602329   -7.504305    24   146
   146  N     -0.906629    8.994916   -8.502293    24   145
   147  N     -0.167006    2.692373   -1.979831    24   148
   148  N     -0.279762    1.858250   -1.239146    24   147
   149  N      5.420393    1.962565   -5.885365    24   150
   150  N      5.294345    1.380306   -6.835194    24   149
   151  N     -4.503145    1.256469    5.099573    24   152
   152  N     -3.720765    0.663808    5.641534    24   151
   153  N      1.857439   -7.178647   -6.674519    24   154
   154  N      2.504033   -6.470271   -7.255218    24   153
   155  N      6.490561    0.626148   -2.827515    24   156
   156  N      5.985874    0.563165   -1.828308    24   155
   157  N     -8.537602    8.588714    8.819840    24   158
   158  N     -9.290355    8.575056    7.989019    24   157
   159  N     -7.046285    2.887224   -5.721163    24   160
   160  N     -7.221930    2.146675   -6.544465    24   159
   161  N      1.688249   -3.898672   -8.088561    24   162
   162  N      2.360219   -3.606425   -8.937170    24   161
   163  N      2.474245   -6.518001    7.669704    24   164
   164  N      3.060746   -6.061707    6.830119    24   163
   165  N      2.110573   -3.385131   -0.912794    24   166
   166  N      2.245259   -2.311751   -0.618170    24   165
   167  N      4.491466   -2.931307    6.409289    24   168
   168  N      5.577998   -3.203111    6.357723    24   167
   169  N     -1.539344   -3.451447   -7.427722    24   170
   170  N     -1.256141   -2.505425   -6.896755    24   169
   171  N     -0.938902    4.243935   -6.112396    24   172
   172  N     -1.762105    3.723485   -5.556918    24   171
   173  N      5.202057    2.052524    4.235384    24   174
   174  N      6.308445    2.233116    4.254856    24   173
   175  N     -5.287333   -1.365813   -5.159624    24   176
   176  N     -5.680167   -0.385470   -4.783193    24   175
   177  N      3.780069    1.262877    0.328178    24   178
   178  N      4.129053    0.446645    1.013062    24   177
   179  N      6.738687   -6.580160    7.979523    24   180
   180  N      5.890270   -6.282236    8.649238    24   179
   181  N      6.247742   -4.931918    1.563194    24   182
   182  N      5.552383   -4.148490    1.163433    24   181
   183  N      7.531269   -5.121992    4.377299    24   184
   184  N      8.133881   -5.539243    5.225739    24   183
   185  N      5.113201    9.299313    2.926318    24   186
   186  N      5.457124    8.290752    3.275045    24   185
   187  N      5.259463   -0.967957   -9.076893    24   188
   188  N      4.446688   -1.021326   -8.306414    24   187
   189  N      6.695243   -1.488882    3.198579    24   190
   190  N      6.734626   -0.904927    4.154892    24   189
   191  N      1.435581    6.047407   -1.593129    24   192
   192  N      0.815755    5.418084   -0.902579    24   191
   193  N      3.583384    4.993539    1.252102    24   194
   194  N      3.526852    4.409390    2.207437    24   193
   195  N      0.323782    2.090452    6.552772    24   196
   196  N     -0.297802    2.078395    5.619726    24   195
   197  N     -3.856990   -4.595363   -0.457904    24   198
   198  N     -4.353586   -4.016835    0.364161    24   197
   199  N      1.471806    8.337833    3.559426    24   200
   200  N      2.003534    7.474328    3.081185    24   199
   201  N     -5.269304   -1.393601   -9.463028    24   202
   202  N     -6.024333   -0.992905   -8.737448    24   201
   203  N     -0.189909    4.685574    2.016452    24   204
   204  N     -0.249908    3.566418    2.047752    24   203
   205  N      7.906596   -6.782853   -5.800835    24   206
   206  N      7.934504   -7.159607   -4.745198    24   205
   207  N      8.562860    3.593256   -2.828423    24   208
   208  N      8.321270    3.857491   -3.890921    24   207
   209  N     -8.543621    0.590833    4.600288    24   210
   210  N     -8.377733    1.521075    5.203794    24   209
   211  N     -2.645544   -3.035692    6.702773    24   212
   212  N     -2.040810   -3.211655    7.630363    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.149868    4.571606   -0.972583    24     2
     2  N     -6.464220    3.900040   -1.552216    24     1
     3  N     -7.751426    0.100432   -1.692685    24     4
     4  N     -7.226844    0.838400   -2.353975    24     3
     5  N     -0.760702   -5.712128    4.058699    24     6
     6  N     -1.002188   -5.561798    2.974183    24     5
     7  N     -8.417600    7.603402   -3.249371    24     8
     8  N     -7.566418    6.893578   -3.418868    24     7
     9  N      2.182007    3.720285   -7.000685    24    10
    10  N      2.645012    2.836042   -6.489969    24     9
    11  N     -1.766699    4.889132    5.186557    24    12
    12  N     -2.566492    4.236609    5.624318    24    11
    13  N      4.776518   -5.479489   -2.557116    24    14
    14  N      4.473108   -6.436336   -3.056590    24    13
    15  N     -5.170956    6.558907   -7.541863    24    16
    16  N     -4.098036    6.390615   -7.820447    24    15
    17  N     -4.310730   -3.971191    8.775693    24    18
    18  N     -4.087758   -4.877256    9.397319    24    17
    19  N      2.912480    7.038633    9.146810    24    20
    20  N      3.610166    6.985916    8.270714    24    19
    21  N     -2.642184    8.826490   -3.961477    24    22
    22  N     -3.371246    9.158810   -3.177180    24    21
    23  N      2.846736    6.538115   -4.718231    24    24
    24  N      2.680657    6.920765   -5.758946    24    23
    25  N     -3.027711    1.793214   -3.869837    24    26
    26  N     -2.502853    1.073065   -4.550277    24    25
    27  N      2.791308   -4.056427   -4.520730    24    28
    28  N      2.215493   -3.675651   -5.404209    24    27
    29  N     -0.511471    0.934750    2.817854    24    30
    30  N      0.295948    1.007417    2.043333    24    29
    31  N      3.671897    3.723704   -3.225048    24    32
    32  N      3.643702    4.514022   -2.430256    24    31
    33  N      2.512584   -7.229746    0.300483    24    34
    34  N      1.815999   -7.351247   -0.569630    24    33
    35  N      9.272039   -1.797281    1.219030    24    36
    36  N      8.407725   -1.192654    1.599129    24    35
    37  N     -4.131993    4.988243   -4.225242    24    38
    38  N     -4.019772    5.829467   -3.492549    24    37
    39  N     -1.434074    0.992732   -7.633372    24    40
    40  N     -0.781729    1.896282   -7.756393    24    39
    41  N     -5.582749   -8.397723   -5.718654    24    42
    42  N     -6.360234   -9.200673   -5.629892    24    41
    43  N      8.757074   -4.639022   -1.349438    24    44
    44  N      8.785425   -4.608849   -2.469874    24    43
    45  N     -9.040920   -2.392635   -8.977854    24    46
    46  N     -9.160098   -1.308776   -9.238885    24    45
    47  N      6.190817    8.333984   -4.426690    24    48
    48  N      6.374125    7.255128   -4.182652    24    47
    49  N     -7.661367   -5.808443    8.888982    24    50
    50  N     -8.083608   -6.795924    9.210978    24    49
    51  N     -3.220783   -4.827046   -1.390839    24    52
    52  N     -2.953256   -5.752612   -1.964290    24    51
    53  N      6.751523   -8.373522   -0.869933    24    54
    54  N      7.352297   -7.857836   -1.663801    24    53
    55  N      4.559828    0.294454    6.741410    24    56
    56  N      3.885045    1.181789    6.861383    24    55
    57  N     -6.804059    4.089893    7.422216    24    58
    58  N     -6.028673    4.896387    7.495922    24    57
    59  N      1.735061   -0.350654   -4.483612    24    60
    60  N      0.783410    0.052834   -4.917948    24    59
    61  N     -1.515510    9.120818   -0.260723    24    62
    62  N     -1.337268    8.799438    0.798540    24    61
    63  N      9.497933    5.273343    4.422546    24    64
    64  N      8.774901    5.178743    5.274230    24    63
    65  N      7.870120   -2.532314    5.873603    24    66
    66  N      8.344091   -3.493478    6.203155    24    65
    67  N      0.472253   -7.926042   -3.766210    24    68
    68  N      1.293121   -8.579264   -3.370522    24    67
    69  N     -3.593208    6.390143    3.011210    24    70
    70  N     -4.245413    7.300935    2.964567    24    69
    71  N      0.738589   -1.911098    4.505096    24    72
    72  N      1.271010   -2.735603    5.047139    24    71
    73  N      1.034095   -0.953721    8.576328    24    74
    74  N      1.220921   -0.718834    9.656613    24    73
    75  N     -5.208907    7.773128   -0.856772    24    76
    76  N     -4.271524    7.274540   -0.496477    24    75
    77  N      5.601055   -1.790409   -2.833127    24    78
    78  N      4.779787   -1.275130   -2.270015    24    77
    79  N      5.903038   -9.069709    5.947075    24    80
    80  N      5.652877   -8.319994    6.742334    24    79
    81  N     -1.651710   -2.502789    0.659682    24    82
    82  N     -0.617223   -2.464498    1.090334    24    81
    83  N     -0.717666    9.348468    4.551766    24    84
    84  N     -1.634189    8.717541    4.413908    24    83
    85  N      4.984394    9.465563   -7.786995    24    86
    86  N      5.876795    8.787216   -7.763453    24    85
    87  N     -3.772995    2.635217    9.197497    24    88
    88  N     -3.719938    1.812553    8.437564    24    87
    89  N     -4.722114   -4.996367   -4.550395    24    90
    90  N     -4.364637   -4.910117   -5.609574    24    89
    91  N     -8.511624   -5.758170    2.405330    24    92
    92  N     -9.075743   -6.504185    1.787010    24    91
    93  N     -0.931299   -5.132130    7.876063    24    94
    94  N     -1.104509   -6.039973    8.510814    24    93
    95  N     -8.605384    5.780739   -7.649215    24    96
    96  N     -9.034318    6.669828   -7.117588    24    95
    97  N      5.570455    4.921270   -6.388940    24    98
    98  N      6.617768    4.978392   -6.785124    24    97
    99  N     -4.136930   -2.676063    3.383072    24   100
   100  N     -3.143746   -2.631204    3.901399    24    99
   101  N     -7.928165    8.514405    1.390201    24   102
   102  N     -8.562057    8.468487    0.466533    24   101
   103  N     -4.824999   -8.278849    7.976474    24   104
   104  N     -5.729952   -8.711961    7.475911    24   103
   105  N     -2.559385    3.291486   -0.881412    24   106
   106  N     -3.295177    3.839575   -0.236976    24   105
   107  N      3.027375   -5.635936    3.699152    24   108
   108  N      3.253340   -6.645914    4.130399    24   107
   109  N      8.027043    5.232374   -1.427009    24   110
   110  N      7.827988    6.050113   -0.686220    24   109
   111  N     -6.258267   -6.073320    5.327140    24   112
   112  N     -5.800291   -5.265552    5.955516    24   111
   113  N     -3.259539   -0.209165   -1.241647    24   114
   114  N     -2.966883   -0.032408   -0.173845    24   113
   115  N     -0.411154    5.244485    8.534263    24   116
   116  N     -1.362124    5.082940    9.105794    24   115
   117  N      2.443622    6.326979    5.348056    24   118
   118  N      1.345540    6.248633    5.560582    24   117
   119  N      5.794680    4.671086    6.875941    24   120
   120  N      5.640018    5.583637    6.243153    24   119
   121  N     -4.257064   -7.663117    1.783577    24   122
   122  N     -4.517922   -7.292111    2.808953    24   121
   123  N     -5.762724    4.647105    4.000863    24   124
   124  N     -5.729047    3.974505    3.104445    24   123
   125  N     -9.140417    0.657842   -5.296573    24   126
   126  N     -9.072760   -0.145367   -6.075912    24   125
   127  N     -2.130871   -7.201707   -6.851205    24   128
   128  N     -1.574998   -6.333436   -6.410525    24   127
   129  N     -8.330175   -4.196453   -6.076060    24   130
   130  N     -8.369234   -3.132224   -5.725373    24   129
   131  N      6.547535   -3.417104   -6.092790    24   132
   132  N      5.485880   -3.694401   -6.323192    24   131
   133  N     -7.856926   -7.571578   -2.334534    24   134
   134  N     -7.322690   -7.730124   -1.361630    24   133
   135  N      3.766395    7.713239   -1.562290    24   136
   136  N      2.714569    7.918274   -1.232573    24   135
   137  N      7.294984    2.250967   -8.905223    24   138
   138  N      8.345125    2.087986   -8.547828    24   137
   139  N     -1.064092   -2.038940   -3.397958    24   140
   140  N     -0.992065   -2.862810   -2.640896    24   139
   141  N     -7.745818   -9.239440    4.733470    24   142
   142  N     -8.143856   -8.206641    4.554639    24   141
   143  N     -8.066947    2.272820    2.356021    24   144
   144  N     -8.739045    2.434708    1.473318    24   143
   145  N     -1.888964    8.619156    9.443771    24   146
   146  N     -1.206659    8.687237    8.556689    24   145
   147  N      1.211498    1.451955   -1.272490    24   148
   148  N      0.593796    0.516689   -1.300929    24   147
   149  N      4.976899    1.080246   -5.159471    24   150
   150  N      5.610780    1.645736   -5.891252    24   149
   151  N     -4.967484    0.006296    4.756762    24   152
   152  N     -5.620210    0.878603    5.021555    24   151
   153  N      1.075863   -8.956696   -7.091815    24   154
   154  N      1.464729   -8.020373   -7.570534    24   153
   155  N      7.332241    1.401989   -1.537491    24   156
   156  N      6.457996    2.041441   -1.247858    24   155
   157  N      8.256611    7.499753    7.705219    24   158
   158  N      9.147612    8.160161    7.540699    24   157
   159  N     -6.938863    2.408014   -6.343264    24   160
   160  N     -6.246970    3.103745   -6.885788    24   159
   161  N      1.678862   -4.011071   -9.016073    24   162
   162  N      2.633021   -4.369903   -8.549266    24   161
   163  N      1.692198   -8.869978    6.980303    24   164
   164  N      1.692585   -7.830073    6.561153    24   163
   165  N      1.255695   -4.268979   -0.986230    24   166
   166  N      2.195423   -3.659729   -0.933187    24   165
   167  N      4.549040   -3.104878    7.275255    24   168
   168  N      4.131573   -3.575896    6.347380    24   167
   169  N     -2.423815   -2.528226   -7.256441    24   170
   170  N     -1.502367   -3.061458   -6.904753    24   169
   171  N     -0.767497    4.505571   -4.312166    24   172
   172  N     -0.881796    5.541816   -4.724743    24   171
   173  N      6.413060    1.577660    3.787763    24   174
   174  N      6.558925    2.560266    4.307663    24   173
   175  N     -4.519447   -1.712592   -4.163126    24   176
   176  N     -5.178859   -0.992796   -4.714632    24   175
   177  N      4.454271    0.266894    0.954601    24   178
   178  N      3.493236   -0.294148    0.817730    24   177
   179  N      6.889475   -6.294019   -8.300257    24   180
   180  N      6.410842   -5.745599   -9.153037    24   179
   181  N      6.054888   -3.329510    0.388863    24   182
   182  N      5.941381   -4.411442    0.660213    24   181
   183  N      6.564445   -5.100725    3.529510    24   184
   184  N      6.493591   -5.757303    4.435586    24   183
   185  N      7.359884    7.457844    2.822371    24   186
   186  N      6.377944    6.996697    2.539125    24   185
   187  N      6.169749   -0.921789   -8.410493    24   188
   188  N      5.052065   -0.953740   -8.327734    24   187
   189  N      5.220426   -2.333940    3.567585    24   190
   190  N      4.815330   -1.304279    3.748652    24   189
   191  N      0.604507    5.580515   -1.475960    24   192
   192  N     -0.198919    6.353776   -1.592855    24   191
   193  N      3.189725    3.782762    1.207205    24   194
   194  N      4.058575    3.870111    1.910455    24   193
   195  N     -0.141059    2.038027    6.962918    24   196
   196  N      0.320869    1.833252    5.962030    24   195
   197  N     -6.249708   -3.741365    0.755995    24   198
   198  N     -5.928304   -3.343258   -0.241653    24   197
   199  N      1.750106    8.124109    2.810994    24   200
   200  N      1.635126    7.555677    1.851435    24   199
   201  N     -5.086443   -0.427537   -8.133580    24   202
   202  N     -6.027141   -0.944002   -8.458298    24   201
   203  N     -0.210201    4.232747    2.554962    24   204
   204  N     -0.702736    4.505673    1.585420    24   203
   205  N      7.882747   -6.653445   -5.277898    24   206
   206  N      8.922353   -7.060194   -5.382134    24   205
   207  N     -9.421285    3.576865   -4.420318    24   208
   208  N     -8.436356    3.743479   -3.911159    24   207
   209  N     -8.641441    0.575890    5.906599    24   210
   210  N     -8.547966    1.348740    6.713478    24   209
   211  N     -2.045306   -1.058475    7.072137    24   212
   212  N     -2.594837   -2.015483    6.874040    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.947557    4.192212    0.331114    24     2
     2  N     -5.888009    3.123245   -0.001828    24     1
     3  N     -8.697962    0.608000   -1.313936    24     4
     4  N     -7.847559    1.058871   -1.888931    24     3
     5  N     -0.843857   -6.119467    2.350644    24     6
     6  N     -0.982614   -5.846667    3.429262    24     5
     7  N     -7.869328    7.900587   -3.092662    24     8
     8  N     -8.225483    7.641999   -2.061461    24     7
     9  N      3.814031    3.256459   -9.526021    24    10
    10  N      4.193796    3.059880   -8.489573    24     9
    11  N     -2.697698    6.391983    6.931694    24    12
    12  N     -1.892250    6.402235    6.151799    24    11
    13  N      5.964062   -6.648513   -3.303744    24    14
    14  N      5.703672   -5.701090   -2.763673    24    13
    15  N     -4.225155    7.549029   -7.240346    24    16
    16  N     -3.655346    6.632849   -7.545338    24    15
    17  N     -4.741813   -4.526433    8.612891    24    18
    18  N     -3.754077   -4.125629    8.960489    24    17
    19  N      3.602432    7.518274    9.584295    24    20
    20  N      4.134556    7.142522    8.671748    24    19
    21  N     -2.361011   -8.795737   -5.242447    24    22
    22  N     -2.862648   -8.214212   -4.425576    24    21
    23  N      2.662982    5.834087   -6.185940    24    24
    24  N      3.148914    6.550115   -5.473014    24    23
    25  N     -2.568885    1.498233   -4.129575    24    26
    26  N     -2.643943    1.270261   -5.224785    24    25
    27  N      2.215741   -4.550048   -5.032989    24    28
    28  N      1.838803   -3.650291   -5.585659    24    27
    29  N     -0.681601    1.078239    2.437678    24    30
    30  N      0.379415    1.340437    2.187506    24    29
    31  N      1.591137    3.180451   -3.330917    24    32
    32  N      2.365537    3.972171   -3.505772    24    31
    33  N      2.483714   -7.533257    0.468727    24    34
    34  N      2.089582   -6.492344    0.333639    24    33
    35  N      7.819173   -2.194050    0.944254    24    36
    36  N      7.413882   -2.227345    1.989108    24    35
    37  N     -4.717405    4.415879   -4.355870    24    38
    38  N     -5.415181    4.763970   -3.550246    24    37
    39  N     -0.488791    1.552662   -8.653498    24    40
    40  N     -1.228356    1.811415   -7.851513    24    39
    41  N     -5.511758   -7.620802   -7.448674    24    42
    42  N     -5.308254   -7.567196   -6.347401    24    41
    43  N      8.814977   -4.343017   -3.269208    24    44
    44  N      9.037945   -4.354897   -2.170466    24    43
    45  N      8.825085   -0.438022   -8.374827    24    46
    46  N      9.361925   -1.146688   -9.057971    24    45
    47  N      5.964153    7.777706   -3.773373    24    48
    48  N      6.444952    6.880194   -3.303912    24    47
    49  N     -9.063647   -6.528534    6.905475    24    50
    50  N     -7.943714   -6.576335    6.881918    24    49
    51  N     -2.785931   -5.176576   -0.734986    24    52
    52  N     -2.484147   -5.525824   -1.756769    24    51
    53  N      7.478932   -7.900316   -0.995620    24    54
    54  N      6.946734   -8.691252   -0.405472    24    53
    55  N      4.828855    0.469737    7.497381    24    56
    56  N      4.416580    0.885036    6.541010    24    55
    57  N     -6.225563    4.904944    8.170242    24    58
    58  N     -6.126005    4.774712    7.061091    24    57
    59  N      1.677982   -0.431643   -4.800027    24    60
    60  N      1.091249    0.295892   -5.419322    24    59
    61  N     -1.020308   -8.183238   -0.190618    24    62
    62  N     -0.391553   -9.099328   -0.040491    24    61
    63  N     -8.339694    4.020349    4.155925    24    64
    64  N     -8.927882    3.940190    5.107081    24    63
    65  N      6.547110   -2.262926    6.818044    24    66
    66  N      7.328787   -3.045576    7.001154    24    65
    67  N      2.335631   -7.657912   -3.191477    24    68
    68  N      1.300556   -7.352929   -3.495938    24    67
    69  N     -3.621195    6.660938    2.022699    24    70
    70  N     -3.307847    7.182847    2.964247    24    69
    71  N      0.334361   -2.348062    3.880162    24    72
    72  N      0.978186   -3.177336    4.273717    24    71
    73  N      1.328508   -1.761976    8.743576    24    74
    74  N      1.996523   -1.038158    8.207914    24    73
    75  N     -4.824980    7.743454   -1.339243    24    76
    76  N     -3.898212    7.559702   -1.942920    24    75
    77  N      5.708843   -2.208293   -1.363293    24    78
    78  N      5.662443   -2.515437   -2.440604    24    77
    79  N      5.055362    9.339371    5.692848    24    80
    80  N      5.809322    8.682806    6.200347    24    79
    81  N     -0.449425   -1.516255    0.537440    24    82
    82  N     -0.802888   -2.579445    0.579660    24    81
    83  N     -0.234160    9.138057    5.091805    24    84
    84  N      0.366907    8.741944    4.232211    24    83
    85  N      4.106196   -8.153591   -6.293243    24    86
    86  N      5.151599   -8.456055   -6.023549    24    85
    87  N     -3.494247    2.719584    7.381945    24    88
    88  N     -3.168404    1.751441    6.919760    24    87
    89  N     -5.241455   -4.220690   -4.823935    24    90
    90  N     -4.451967   -3.647590   -5.376525    24    89
    91  N     -8.790673   -5.769872    0.993066    24    92
    92  N     -7.854469   -6.271097    1.352766    24    91
    93  N     -0.647911   -5.047059    6.359831    24    94
    94  N     -0.621636   -4.480915    7.327241    24    93
    95  N     -7.312827    6.495784   -6.149368    24    96
    96  N     -8.134059    7.225282   -6.374089    24    95
    97  N      5.852951    4.485412   -5.892559    24    98
    98  N      6.836277    4.211439   -6.356347    24    97
    99  N     -3.929522   -2.795483    2.629329    24   100
   100  N     -3.551617   -1.860051    3.118456    24    99
   101  N     -8.544716    7.424758    1.643932    24   102
   102  N     -7.699781    6.740223    1.917036    24   101
   103  N     -6.842011    9.133570    7.904550    24   104
   104  N     -7.606591    8.383270    8.235544    24   103
   105  N     -2.540562    3.875099   -1.473504    24   106
   106  N     -2.504488    4.230801   -0.410836    24   105
   107  N      3.226366   -6.389653    3.947300    24   108
   108  N      2.340264   -6.840747    4.465400    24   107
   109  N      8.036110    5.331075   -0.415495    24   110
   110  N      7.508123    4.351305   -0.279968    24   109
   111  N     -5.542681   -4.464644    5.233776    24   112
   112  N     -6.069419   -5.012093    4.409194    24   111
   113  N     -3.928327    0.533060    0.298255    24   114
   114  N     -3.852000    1.057294    1.286407    24   113
   115  N      0.369349    5.522696   -9.216803    24   116
   116  N      0.817988    4.705852   -8.593443    24   115
   117  N      2.601388    4.573246    5.846643    24   118
   118  N      1.851302    5.335756    6.182855    24   117
   119  N      6.398808    4.529188    7.526936    24   120
   120  N      6.271553    5.109220    6.575905    24   119
   121  N     -5.465519   -8.587945    2.403334    24   122
   122  N     -4.611089   -7.884832    2.584089    24   121
   123  N     -4.179257    3.800631    3.906345    24   124
   124  N     -4.980547    3.118792    3.518892    24   123
   125  N      9.457997   -0.848433   -4.448933    24   126
   126  N      8.546910   -0.724225   -5.090481    24   125
   127  N     -1.529377   -5.771814   -6.580832    24   128
   128  N     -0.618482   -5.596527   -7.210621    24   127
   129  N     -8.947931   -4.556629   -7.378471    24   130
   130  N     -7.947944   -4.957020   -7.689601    24   129
   131  N      5.621035   -3.516824   -6.032747    24   132
   132  N      6.538299   -3.964883   -5.569110    24   131
   133  N     -5.661934   -7.391896   -2.372887    24   134
   134  N     -6.235682   -6.432576   -2.285665    24   133
   135  N      3.749867    7.597077   -1.319357    24   136
   136  N      3.340729    6.588054   -1.051836    24   135
   137  N     -9.115510    3.099817   -8.731387    24   138
   138  N     -8.758295    3.544375   -7.766060    24   137
   139  N     -1.281058   -1.703584   -3.586863    24   140
   140  N     -1.678270   -2.329270   -2.745536    24   139
   141  N     -8.497174    8.285530    4.834728    24   142
   142  N     -8.231596    9.200302    4.243330    24   141
   143  N     -8.337615    0.772705    2.541473    24   144
   144  N     -9.350826    0.944067    2.093000    24   143
   145  N     -2.740418   -7.348217    8.330076    24   146
   146  N     -2.332066   -8.343773    8.015104    24   145
   147  N     -0.378015    1.490989   -1.426256    24   148
   148  N     -0.266556    0.712599   -2.225489    24   147
   149  N      4.943760    0.512514   -4.162001    24   150
   150  N      4.630918    1.582359   -4.040962    24   149
   151  N     -6.290236   -0.832916    5.617169    24   152
   152  N     -5.871322   -0.403682    4.669880    24   151
   153  N      0.265043    8.566519   -6.549971    24   154
   154  N      0.009186    9.498647   -7.118094    24   153
   155  N      5.990692    1.311301    0.566658    24   156
   156  N      6.222554    1.502993   -0.513428    24   155
   157  N      7.310670    8.155692   -8.269820    24   158
   158  N      8.170187    8.866881   -8.381757    24   157
   159  N     -5.358226    2.144703   -6.837937    24   160
   160  N     -5.087959    2.937512   -7.583256    24   159
   161  N      3.005860   -5.688716   -8.861142    24   162
   162  N      3.467573   -5.110980   -8.018449    24   161
   163  N      0.973879   -7.846782    7.646687    24   164
   164  N      1.818368   -8.548104    7.418487    24   163
   165  N      1.732413   -3.666604   -2.118969    24   166
   166  N      2.556411   -2.921184   -2.268851    24   165
   167  N      3.354537   -3.530561    6.326714    24   168
   168  N      4.128915   -4.317037    6.129528    24   167
   169  N     -1.684506   -1.621180   -7.515463    24   170
   170  N     -1.580901   -2.252472   -6.594689    24   169
   171  N     -1.337067    4.941449   -4.998997    24   172
   172  N     -1.040322    5.931762   -5.432945    24   171
   173  N      6.443879    2.021344    4.133621    24   174
   174  N      5.676982    2.831050    4.018149    24   173
   175  N     -5.799532   -1.245929   -2.866349    24   176
   176  N     -4.975938   -0.590748   -3.253027    24   175
   177  N      2.567443    0.671632   -0.023441    24   178
   178  N      2.520570   -0.276613    0.572984    24   177
   179  N      6.279394   -6.831418   -8.923438    24   180
   180  N      6.723969   -5.802357   -8.901640    24   179
   181  N      5.011829   -4.567440    0.722839    24   182
   182  N      4.336176   -3.932047    1.352807    24   181
   183  N      7.167304   -6.167624    3.474091    24   184
   184  N      7.545085   -5.655515    4.397192    24   183
   185  N      7.088798    6.112475    2.896942    24   186
   186  N      6.441752    6.533078    2.083607    24   185
   187  N      4.815820   -1.168628   -8.013138    24   188
   188  N      4.226214   -0.455924   -7.379493    24   187
   189  N      3.557020   -1.152977    3.501337    24   190
   190  N      4.201120   -0.240510    3.403216    24   189
   191  N     -0.045949    7.194862   -2.173314    24   192
   192  N      0.057514    6.193456   -1.679784    24   191
   193  N      3.041147    4.651690    1.462406    24   194
   194  N      3.029702    3.575655    1.147593    24   193
   195  N      0.488727    0.930454    6.092252    24   196
   196  N      0.280053    1.938624    6.536251    24   195
   197  N     -6.474352   -2.310996    0.086359    24   198
   198  N     -7.037507   -2.086735    1.029575    24   197
   199  N      2.896364    7.722297    2.141016    24   200
   200  N      3.294800    7.595619    3.181348    24   199
   201  N     -4.470601   -0.547601   -8.902328    24   202
   202  N     -5.270193   -1.176133   -8.430426    24   201
   203  N     -0.593970    4.673599    2.552132    24   204
   204  N     -0.473610    5.712315    2.147570    24   203
   205  N      8.404238   -8.163277   -5.593425    24   206
   206  N      8.570567   -7.581129   -4.649746    24   205
   207  N     -9.203132    3.561873   -3.895336    24   208
   208  N     -8.800983    4.608412   -3.906331    24   207
   209  N      8.945862    0.382749    6.426535    24   210
   210  N      8.134386    1.013337    6.874816    24   209
   211  N     -2.227526   -1.394107    6.246131    24   212
   212  N     -3.052997   -2.045677    6.634902    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.755806    4.326089   -0.626177    24     2
     2  N     -6.001950    4.228296    0.197975    24     1
     3  N     -9.007358    0.496845   -1.392180    24     4
     4  N     -7.952439    0.875998   -1.370295    24     3
     5  N     -2.258212   -5.101912    3.272711    24     6
     6  N     -1.913959   -5.099893    2.205670    24     5
     7  N     -7.598368    6.814852   -2.671147    24     8
     8  N     -7.927668    7.502683   -3.493059    24     7
     9  N      4.479615    2.864171   -8.907778    24    10
    10  N      3.447403    3.206041   -8.634370    24     9
    11  N     -3.054473    6.045976    5.450001    24    12
    12  N     -3.181687    6.441310    6.491450    24    11
    13  N      4.763191   -5.776483   -1.575115    24    14
    14  N      5.414726   -6.337874   -2.294442    24    13
    15  N     -2.350529    7.937599   -9.076523    24    16
    16  N     -2.718633    7.585803   -8.077610    24    15
    17  N     -5.050106   -4.147607    8.944015    24    18
    18  N     -5.573519   -4.986496    8.415437    24    17
    19  N      3.796255    6.529071   -9.014895    24    20
    20  N      3.877619    7.610366   -8.729819    24    19
    21  N     -3.297954    8.370888   -4.362165    24    22
    22  N     -3.112500    9.330176   -4.912132    24    21
    23  N      2.696893    6.846650   -3.942649    24    24
    24  N      2.676700    7.873846   -4.391593    24    23
    25  N     -2.096046    0.953712   -5.584911    24    26
    26  N     -1.379005    0.092024   -5.605757    24    25
    27  N      1.058925   -4.750546   -5.867953    24    28
    28  N      1.818390   -5.090481   -6.619449    24    27
    29  N     -0.656847    1.208247    2.806682    24    30
    30  N     -0.511154    1.128775    3.915531    24    29
    31  N      1.105384    3.137750   -3.750928    24    32
    32  N      2.072863    3.234324   -3.192585    24    31
    33  N      2.020647   -6.958881   -0.222833    24    34
    34  N      1.146174   -7.223712    0.426976    24    33
    35  N      7.070307   -0.797594    3.079030    24    36
    36  N      7.181233   -1.529980    3.920693    24    35
    37  N     -4.296824    3.704271   -4.153688    24    38
    38  N     -4.029441    4.108199   -3.142531    24    37
    39  N     -0.108605    1.947732   -8.840338    24    40
    40  N      0.323331    1.729054   -7.829051    24    39
    41  N     -5.343575   -8.024656   -7.223701    24    42
    42  N     -6.077551   -7.317925   -6.755834    24    41
    43  N     -7.763847   -3.377143   -1.253840    24    44
    44  N     -7.740694   -2.364449   -0.773211    24    43
    45  N      7.864594   -0.146746   -8.533151    24    46
    46  N      8.183068    0.922572   -8.643712    24    45
    47  N      7.180133    7.228482   -4.067894    24    48
    48  N      6.095025    7.313027   -3.798672    24    47
    49  N     -8.764037   -7.038995    6.604686    24    50
    50  N     -8.460263   -6.475764    7.525328    24    49
    51  N     -4.058854   -4.629560   -1.515487    24    52
    52  N     -3.035039   -5.044450   -1.323763    24    51
    53  N      8.228314   -8.987534   -1.356752    24    54
    54  N      7.360464   -8.334715   -1.077912    24    53
    55  N      4.877638    0.451520    6.988995    24    56
    56  N      5.647331   -0.301009    6.675367    24    55
    57  N     -5.973259    4.397510    5.828406    24    58
    58  N     -5.619186    3.984979    6.808986    24    57
    59  N      1.599774   -0.456246   -5.036297    24    60
    60  N      1.827061   -1.514334   -4.743244    24    59
    61  N     -2.034518   -8.441567   -0.199392    24    62
    62  N     -1.883532   -9.380545    0.394422    24    61
    63  N     -9.089003    5.054579    3.153648    24    64
    64  N     -8.104753    5.105486    2.619092    24    63
    65  N      6.214061   -3.602649    7.747465    24    66
    66  N      7.132165   -3.552183    8.389048    24    65
    67  N      0.149689   -8.078794   -3.676972    24    68
    68  N      0.352150   -7.013724   -3.391091    24    67
    69  N     -4.243153    5.995062    2.125221    24    70
    70  N     -5.058956    6.385056    2.788140    24    69
    71  N      1.242933   -2.084829    3.718570    24    72
    72  N      0.379879   -2.508545    4.295366    24    71
    73  N      1.106685   -2.098379   -8.222573    24    74
    74  N      1.885067   -1.399473   -8.625986    24    73
    75  N     -4.377979    7.296425   -1.248575    24    76
    76  N     -3.466128    6.650633   -1.341141    24    75
    77  N      7.172902   -2.152128   -1.149709    24    78
    78  N      6.676255   -1.524175   -0.364784    24    77
    79  N      4.128732   -8.043719    6.171679    24    80
    80  N      4.992266   -8.554511    6.672168    24    79
    81  N     -1.016102   -1.818136    0.684203    24    82
    82  N     -1.727920   -2.403262    0.045427    24    81
    83  N     -1.316725   -8.458959    3.730217    24    84
    84  N     -1.342864   -9.533599    4.048893    24    83
    85  N      4.762716   -8.220623   -5.154610    24    86
    86  N      4.187326   -7.260075   -5.212599    24    85
    87  N     -1.641837    3.277152    6.253158    24    88
    88  N     -2.366850    2.930490    7.034996    24    87
    89  N     -4.981770   -4.964870   -5.070371    24    90
    90  N     -5.108545   -3.909794   -5.427905    24    89
    91  N     -8.744728   -6.045354    0.909524    24    92
    92  N     -8.581779   -6.320073    1.984264    24    91
    93  N     -1.486690   -3.744332    6.867502    24    94
    94  N     -1.951363   -4.763171    6.923507    24    93
    95  N     -6.128206    6.624022   -5.954071    24    96
    96  N     -7.150853    6.493648   -6.394848    24    95
    97  N      5.347645    4.253928   -5.988078    24    98
    98  N      6.408244    4.616039   -5.954973    24    97
    99  N     -3.607004   -1.307057    4.227776    24   100
   100  N     -2.678576   -1.722815    3.756334    24    99
   101  N     -7.332294    9.064996    0.337686    24   102
   102  N     -7.295553    7.950206    0.223741    24   101
   103  N     -6.185633    7.591081    8.388565    24   104
   104  N     -6.812254    8.495974    8.602116    24   103
   105  N     -0.968301    3.758469   -0.367725    24   106
   106  N     -1.736076    3.490029    0.403995    24   105
   107  N      1.294832   -6.173463    4.204045    24   108
   108  N      1.767494   -7.123785    4.565384    24   107
   109  N      7.675453    5.789344   -1.065068    24   110
   110  N      7.697552    5.985027    0.038701    24   109
   111  N     -5.604153   -4.993208    5.039317    24   112
   112  N     -5.795946   -5.977937    5.539929    24   111
   113  N     -4.445720    0.889647   -0.137402    24   114
   114  N     -4.421161   -0.172153   -0.496660    24   113
   115  N      0.441404    5.563834    9.352253    24   116
   116  N      0.484429    4.752958    8.579131    24   115
   117  N      2.513722    5.871329    6.348011    24   118
   118  N      3.369392    6.558327    6.117899    24   117
   119  N      8.036524    5.861173    7.474426    24   120
   120  N      8.637854    6.796455    7.330410    24   119
   121  N     -4.922671   -7.801321    2.885230    24   122
   122  N     -4.728933   -7.772149    1.781280    24   121
   123  N     -3.933921    3.020726    3.379461    24   124
   124  N     -4.366586    2.338498    2.601994    24   123
   125  N      9.166178   -1.475823   -4.231322    24   126
   126  N      8.303215   -0.938456   -4.704209    24   125
   127  N     -1.591679   -6.703973   -7.720704    24   128
   128  N     -2.657913   -6.426492   -7.512766    24   127
   129  N     -8.459418   -3.226570   -7.700760    24   130
   130  N     -8.459672   -4.347692   -7.713915    24   129
   131  N      6.901269   -4.006827   -5.603717    24   132
   132  N      5.896610   -4.330968   -5.225985    24   131
   133  N     -5.766115   -7.439903   -2.911223    24   134
   134  N     -6.358587   -6.897426   -2.129057    24   133
   135  N      3.933375    6.008603   -0.210218    24   136
   136  N      4.411336    5.877003   -1.215864    24   135
   137  N     -8.119869    4.303134   -8.608237    24   138
   138  N     -8.021744    3.340026   -9.173819    24   137
   139  N     -1.957196   -4.307870   -4.495984    24   140
   140  N     -1.504790   -3.609181   -3.744816    24   139
   141  N     -7.699163    8.747489    3.668918    24   142
   142  N     -7.733666    7.997924    4.502016    24   141
   143  N     -7.148506    0.702556    2.001757    24   144
   144  N     -7.394105    0.659920    3.094897    24   143
   145  N     -3.448677   -8.421016    6.513291    24   146
   146  N     -4.039040   -8.209136    7.442628    24   145
   147  N     -0.525313    0.157914   -2.025214    24   148
   148  N     -1.180532    1.052557   -2.190719    24   147
   149  N      5.474119    2.550724   -3.235030    24   150
   150  N      6.405145    2.250869   -2.686973    24   149
   151  N     -7.917297   -2.273422    6.211362    24   152
   152  N     -7.609316   -2.612518    5.188010    24   151
   153  N      1.003487    8.805672   -8.010978    24   154
   154  N      0.686139    8.261615   -7.083410    24   153
   155  N      6.431673    2.340962    0.866306    24   156
   156  N      7.537978    2.440890    1.018606    24   155
   157  N      6.757072    7.641825   -7.492233    24   158
   158  N      7.787345    7.642028   -7.934529    24   157
   159  N     -4.805842    4.107827   -7.580760    24   160
   160  N     -3.890857    3.512778   -7.837297    24   159
   161  N      1.755444   -6.610186    8.569637    24   162
   162  N      2.374400   -7.544350    8.605995    24   161
   163  N      0.423546    8.643582    6.938339    24   164
   164  N     -0.319722    9.469886    7.086206    24   163
   165  N      2.065723   -4.517859   -2.123331    24   166
   166  N      1.336631   -3.668310   -2.061858    24   165
   167  N      2.867352   -2.940927    6.602172    24   168
   168  N      3.023649   -4.020174    6.341623    24   167
   169  N     -2.927428   -2.077517   -7.615224    24   170
   170  N     -2.223953   -2.831903   -8.054669    24   169
   171  N     -1.557163    4.973561   -5.707290    24   172
   172  N     -0.951707    4.262102   -6.327239    24   171
   173  N      5.238118    4.279044    4.779069    24   174
   174  N      5.387915    3.168198    4.753194    24   173
   175  N     -5.966776   -0.615826   -3.489428    24   176
   176  N     -4.868468   -0.584525   -3.712654    24   175
   177  N      3.564162   -0.500056   -2.023940    24   178
   178  N      3.417180   -0.416159   -0.915587    24   177
   179  N      6.287935   -7.078207   -9.041523    24   180
   180  N      6.782339   -7.275509   -8.054748    24   179
   181  N      3.218806   -4.107148    1.761022    24   182
   182  N      4.237462   -3.998104    2.216588    24   181
   183  N      6.211978   -5.928658    3.795622    24   184
   184  N      7.120449   -6.145935    4.415751    24   183
   185  N      6.815718    7.846624    3.631119    24   186
   186  N      6.766058    7.171983    4.525257    24   185
   187  N      4.875241   -0.126036   -6.822308    24   188
   188  N      4.971310   -1.018468   -7.494189    24   187
   189  N      4.069458    0.171492    3.072553    24   190
   190  N      3.003548    0.509474    2.990747    24   189
   191  N     -0.108756    6.328004   -2.608688    24   192
   192  N      0.044347    6.780768   -1.594462    24   191
   193  N      2.861084    3.354215    0.769018    24   194
   194  N      2.993111    2.399415    0.196292    24   193
   195  N      1.901758    1.919592    5.858411    24   196
   196  N      1.437280    1.346908    6.703030    24   195
   197  N     -5.562292   -3.999094    1.661067    24   198
   198  N     -4.687272   -3.328865    1.866552    24   197
   199  N      3.625124    8.797817    2.148930    24   200
   200  N      3.327569    7.997133    2.875191    24   199
   201  N     -5.905710   -0.862978    8.299791    24   202
   202  N     -4.976628   -0.370817    7.910335    24   201
   203  N      0.126524    4.910767    3.178836    24   204
   204  N      0.733069    5.663865    2.611353    24   203
   205  N     -8.773169   -6.289903   -4.899237    24   206
   206  N     -9.181114   -6.912686   -5.737577    24   205
   207  N     -8.541069    3.031930   -4.090413    24   208
   208  N     -8.593958    4.145967   -3.975455    24   207
   209  N      8.786007    2.621427    5.847443    24   210
   210  N      9.485949    1.816847    6.193598    24   209
   211  N     -1.142085   -0.451291    7.762517    24   212
   212  N     -1.551905   -0.392161    6.720576    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.447407    4.263384    0.361280    24     2
     2  N     -7.734200    4.293926   -0.503295    24     1
     3  N     -8.155398    0.922337   -1.591013    24     4
     4  N     -9.239727    0.710248   -1.781641    24     3
     5  N     -2.679843   -5.538865    2.862783    24     6
     6  N     -1.642472   -5.307934    2.505541    24     5
     7  N     -7.656438    7.181226   -3.553108    24     8
     8  N     -7.078756    7.264959   -4.510376    24     7
     9  N      5.908513    3.994624   -8.680902    24    10
    10  N      4.794651    3.873592   -8.639060    24     9
    11  N     -2.556415    6.193453    6.349318    24    12
    12  N     -3.224971    6.923154    5.822385    24    11
    13  N      5.810871   -6.023412   -1.550831    24    14
    14  N      6.478926   -5.680584   -0.718208    24    13
    15  N     -2.393470    7.836337   -8.798542    24    16
    16  N     -2.597354    7.148090   -7.937243    24    15
    17  N     -6.553528   -5.537135    8.324028    24    18
    18  N     -6.144567   -5.743411    9.347400    24    17
    19  N      4.938563    7.357277   -7.650317    24    20
    20  N      4.823774    8.237305   -6.965144    24    19
    21  N     -3.694586    8.364420   -4.530876    24    22
    22  N     -2.802032    9.013422   -4.332803    24    21
    23  N      3.088262    6.275836   -4.172453    24    24
    24  N      2.953691    7.192063   -3.540386    24    23
    25  N     -2.175265    0.125249   -7.153810    24    26
    26  N     -2.395541    0.816155   -6.298698    24    25
    27  N      1.877102   -5.429728   -6.800290    24    28
    28  N      1.863213   -4.874945   -5.826067    24    27
    29  N     -0.405950    0.894416    2.767234    24    30
    30  N     -0.400496    0.368920    3.757644    24    29
    31  N      2.872683    2.109490   -5.104915    24    32
    32  N      2.699281    2.080739   -3.997578    24    31
    33  N      0.497172   -6.789945    0.640590    24    34
    34  N      0.949360   -7.343024   -0.223540    24    33
    35  N      7.136526   -2.501734    3.697078    24    36
    36  N      7.767170   -2.469770    4.623553    24    35
    37  N     -4.761710    1.525640   -3.687297    24    38
    38  N     -5.029554    2.569436   -3.996877    24    37
    39  N      1.359853    2.332384   -8.328733    24    40
    40  N      2.224114    1.881970   -8.883053    24    39
    41  N     -5.602423   -9.445162   -7.553877    24    42
    42  N     -5.841599   -8.466775   -7.061288    24    41
    43  N     -7.599860   -2.347709   -2.265884    24    44
    44  N     -6.553413   -2.672646   -2.503485    24    43
    45  N      8.826084    1.130223   -7.691428    24    46
    46  N      7.736664    0.991628   -7.917361    24    45
    47  N      6.947151    7.001278   -4.647339    24    48
    48  N      6.572323    7.936845   -4.156110    24    47
    49  N      8.542084   -7.501113    8.320579    24    50
    50  N      7.735043   -7.501868    7.542265    24    49
    51  N     -3.358621   -3.345614   -1.493690    24    52
    52  N     -3.098296   -4.343116   -1.934495    24    51
    53  N      8.216147   -8.555168   -2.308704    24    54
    54  N      8.328310   -8.514530   -1.193869    24    53
    55  N      5.572652   -0.096777    6.751390    24    56
    56  N      5.812539    0.466011    7.690972    24    55
    57  N     -4.829815    3.904329    6.246673    24    58
    58  N     -4.612393    2.815328    6.092100    24    57
    59  N      2.408254   -1.832867   -4.851731    24    60
    60  N      1.860803   -0.889144   -5.110133    24    59
    61  N     -2.265202   -9.512292   -0.509138    24    62
    62  N     -2.413314   -8.401032   -0.493163    24    61
    63  N     -8.321353    3.921024    4.102924    24    64
    64  N     -7.516102    4.600214    3.719046    24    63
    65  N      6.279360   -2.624482    8.563391    24    66
    66  N      7.107141   -3.268482    8.959792    24    65
    67  N     -0.340235   -7.192408   -4.063853    24    68
    68  N     -0.772443   -6.216993   -3.719103    24    67
    69  N     -4.481099    6.370057    3.054904    24    70
    70  N     -4.444721    6.511733    1.943286    24    69
    71  N     -0.532206   -2.997414    4.772141    24    72
    72  N      0.437390   -2.549773    4.430684    24    71
    73  N      2.164754   -1.439316   -8.735981    24    74
    74  N      2.779601   -2.200300   -9.283663    24    73
    75  N     -4.378718    6.452340   -1.564233    24    76
    76  N     -4.664840    5.418781   -1.891309    24    75
    77  N      6.620879   -1.834742   -0.461159    24    78
    78  N      7.214870   -2.352280   -1.258917    24    77
    79  N      3.853640   -7.848937    6.889786    24    80
    80  N      3.731878   -8.934120    7.144032    24    79
    81  N     -0.223154   -2.086804    1.328418    24    82
    82  N     -1.144114   -2.081528    0.688968    24    81
    83  N     -1.310170    8.930972    3.366953    24    84
    84  N     -0.745016    8.932663    2.398611    24    83
    85  N      3.504407   -7.204855   -3.563216    24    86
    86  N      3.972177   -7.762869   -2.710632    24    85
    87  N     -0.548596    2.916785    6.319106    24    88
    88  N     -0.831071    3.239857    5.283287    24    87
    89  N     -4.755505   -5.494368   -5.434034    24    90
    90  N     -4.621275   -4.877682   -6.360733    24    89
    91  N     -9.046127   -4.172785    0.937748    24    92
    92  N     -8.815004   -5.269650    0.961350    24    91
    93  N     -2.494905   -5.244535    7.236358    24    94
    94  N     -1.929814   -5.737873    6.403064    24    93
    95  N     -5.146396    4.024532   -6.646628    24    96
    96  N     -5.219432    5.131697   -6.485563    24    95
    97  N      6.028798    3.444541   -5.352599    24    98
    98  N      6.477680    2.418228   -5.400306    24    97
    99  N     -3.911913   -1.449600    5.909651    24   100
   100  N     -3.702440   -0.826217    5.001574    24    99
   101  N     -7.334954    7.986095    0.431233    24   102
   102  N     -7.998548    8.108959    1.326575    24   101
   103  N     -5.784922    6.761684    7.823616    24   104
   104  N     -6.452997    7.659795    7.759102    24   103
   105  N     -2.147131    2.846744   -0.275984    24   106
   106  N     -2.706609    2.785873   -1.245709    24   105
   107  N      1.415007   -6.037013    5.015199    24   108
   108  N      1.254716   -6.995359    4.455763    24   107
   109  N      5.659632    6.866447   -1.159503    24   110
   110  N      6.363583    6.822344   -0.287955    24   109
   111  N     -6.958038   -5.435324    4.242418    24   112
   112  N     -6.064733   -4.788724    4.444912    24   111
   113  N     -4.923569   -0.630599   -0.882107    24   114
   114  N     -4.233836    0.194126   -0.564009    24   113
   115  N      1.399239    6.218972    7.314642    24   116
   116  N      1.490731    6.171011    8.431073    24   115
   117  N      3.429909    6.043399    4.457057    24   118
   118  N      2.601684    6.658947    4.018613    24   117
   119  N      6.619928    7.333239    7.270304    24   120
   120  N      7.558154    6.719799    7.247676    24   119
   121  N     -5.531992   -7.763720    2.074399    24   122
   122  N     -4.726805   -8.258617    2.677590    24   121
   123  N     -3.662851    1.516622    2.745196    24   124
   124  N     -4.655083    1.912043    2.404301    24   123
   125  N      7.713537   -1.166801   -4.432817    24   126
   126  N      6.788485   -0.664987   -4.046098    24   125
   127  N     -1.970927   -6.599635   -7.535230    24   128
   128  N     -2.846006   -7.092958   -8.033184    24   127
   129  N     -7.952260   -3.098598   -7.228050    24   130
   130  N     -8.711903   -2.284656   -7.360458    24   129
   131  N      6.140549   -4.077408   -4.518636    24   132
   132  N      5.234018   -3.797779   -5.116214    24   131
   133  N     -5.786596   -7.657353   -2.308812    24   134
   134  N     -5.493565   -7.792150   -1.235009    24   133
   135  N      1.920276    7.087668    0.604602    24   136
   136  N      2.143114    8.151053    0.881450    24   135
   137  N     -8.416536    4.097878    8.953628    24   138
   138  N     -7.971463    3.781220    7.974481    24   137
   139  N     -1.783605   -2.725174   -4.939194    24   140
   140  N     -0.674048   -2.672043   -5.091351    24   139
   141  N     -7.533683   -9.481995    4.846396    24   142
   142  N     -8.150419   -8.561571    5.018287    24   141
   143  N     -8.131783    0.009584    1.752814    24   144
   144  N     -7.839124    0.677719    2.604304    24   143
   145  N     -3.913484   -8.146373    7.086826    24   146
   146  N     -4.832230   -8.102741    6.445661    24   145
   147  N     -0.932173    0.052153   -2.066336    24   148
   148  N     -0.202860    0.237608   -2.897480    24   147
   149  N      5.728022    2.590359   -1.968988    24   150
   150  N      5.727570    3.711140   -1.938315    24   149
   151  N     -7.784084   -2.517563    7.366781    24   152
   152  N     -7.169915   -2.239926    6.470790    24   151
   153  N      1.314975    8.421202   -6.274415    24   154
   154  N      0.296212    8.741925   -6.615515    24   153
   155  N      7.135996    2.500333    1.653071    24   156
   156  N      6.805225    2.276740    2.700777    24   155
   157  N      9.065504    6.802498   -7.456846    24   158
   158  N      8.825625    7.652949   -8.146976    24   157
   159  N     -2.973901    3.713371   -9.147444    24   160
   160  N     -1.987492    3.450665   -8.683683    24   159
   161  N      1.187738   -5.148315    8.299249    24   162
   162  N      2.276357   -5.281043    8.066054    24   161
   163  N     -0.218669   -8.786150    7.194950    24   164
   164  N      0.469544   -8.439532    8.009388    24   163
   165  N      1.274413   -4.025374   -2.779737    24   166
   166  N      0.761626   -3.672725   -1.847120    24   165
   167  N      3.564386   -2.938122    5.954394    24   168
   168  N      4.122352   -3.134418    5.001908    24   167
   169  N     -3.082981   -2.711926   -9.095999    24   170
   170  N     -3.856236   -2.374804   -8.357410    24   169
   171  N     -1.337040    3.486843   -4.874903    24   172
   172  N     -0.332320    3.889967   -5.166654    24   171
   173  N      7.001544    3.225916    5.948957    24   174
   174  N      6.439625    4.059777    5.452964    24   173
   175  N     -6.196986   -0.772423   -5.111692    24   176
   176  N     -5.399234   -0.554098   -5.868671    24   175
   177  N      3.307330   -0.030207   -0.628706    24   178
   178  N      2.936132   -0.876688   -1.263350    24   177
   179  N      5.452399   -5.961005   -7.422873    24   180
   180  N      5.506855   -6.774580   -8.192432    24   179
   181  N      2.425282   -4.265997    2.030531    24   182
   182  N      3.236999   -3.533942    1.780927    24   181
   183  N      7.493289   -7.096600    3.958167    24   184
   184  N      7.589212   -6.083566    3.487369    24   183
   185  N      7.208341    6.888172    3.845495    24   186
   186  N      6.590380    6.613892    2.951077    24   185
   187  N      4.555485   -0.127908   -7.095762    24   188
   188  N      5.113342   -1.053300   -6.796539    24   187
   189  N      4.172477   -0.455059    2.846441    24   190
   190  N      3.797258    0.329205    3.554418    24   189
   191  N     -0.689375    6.468487   -2.221024    24   192
   192  N     -0.491173    6.891011   -3.240474    24   191
   193  N      3.157091    3.879863    1.102560    24   194
   194  N      2.472102    3.024411    0.865747    24   193
   195  N      3.826477    2.701140    6.428731    24   196
   196  N      2.878715    3.142347    6.023551    24   195
   197  N     -6.065633   -2.825869    1.770425    24   198
   198  N     -5.060375   -2.619382    2.221990    24   197
   199  N      4.295957   -8.517257    3.741812    24   200
   200  N      4.365624   -8.126034    2.693394    24   199
   201  N     -6.680056    0.427146   -9.255750    24   202
   202  N     -5.933624   -0.292535   -8.829149    24   201
   203  N     -0.403104    4.786026    1.694861    24   204
   204  N     -1.469471    5.095320    1.850705    24   203
   205  N     -9.139634   -5.767889   -4.341517    24   206
   206  N     -8.736091   -4.724350   -4.414117    24   205
   207  N     -8.622188    4.316190   -3.990910    24   208
   208  N     -8.483287    4.253640   -5.101713    24   207
   209  N     -8.665507    1.148036    6.048730    24   210
   210  N     -9.384661    0.318253    5.822090    24   209
   211  N     -0.314496    0.063567    7.591627    24   212
   212  N     -0.977011   -0.754902    7.206567    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.002472    3.416995    0.062618    24     2
     2  N     -8.367345    4.355610   -0.430289    24     1
     3  N     -7.954862    0.155179   -1.913263    24     4
     4  N     -7.734171    1.193175   -2.275131    24     3
     5  N     -3.297594   -5.804408    2.652242    24     6
     6  N     -3.408272   -5.571845    1.561025    24     5
     7  N     -8.235716    8.784627   -4.561547    24     8
     8  N     -8.766617    7.955336   -4.025348    24     7
     9  N      5.784279    3.338611   -8.605960    24    10
    10  N      5.325393    2.770054   -9.456404    24     9
    11  N     -1.178387    7.046429    7.017395    24    12
    12  N     -1.807676    6.528555    7.787389    24    11
    13  N      6.665541   -5.019774    0.230818    24    14
    14  N      7.572780   -5.476781   -0.243685    24    13
    15  N     -1.860411    6.419478   -6.832413    24    16
    16  N     -1.884307    7.535398   -6.726384    24    15
    17  N     -7.208525   -6.536158    9.241213    24    18
    18  N     -7.325866   -5.659953    8.551586    24    17
    19  N      4.616731    7.135063   -7.053671    24    20
    20  N      5.026855    7.489532   -8.035118    24    19
    21  N     -4.785843   -9.296261   -3.541374    24    22
    22  N     -3.856934   -8.921348   -4.045018    24    21
    23  N      3.415132    6.682787   -2.750692    24    24
    24  N      2.453801    6.233206   -3.112369    24    23
    25  N     -1.412520   -0.372505   -8.556877    24    26
    26  N     -1.860607   -0.314687   -7.530737    24    25
    27  N      1.882234   -5.891624   -6.024609    24    28
    28  N      2.125689   -4.805183   -6.156760    24    27
    29  N      0.712773    1.779930    2.048479    24    30
    30  N     -0.001087    1.477672    2.858499    24    29
    31  N      1.613026    2.061526   -3.127852    24    32
    32  N      2.308824    2.674186   -2.497295    24    31
    33  N     -0.104656   -5.362958    0.438635    24    34
    34  N      0.826101   -5.822317    0.014643    24    33
    35  N      7.352593   -2.259916    3.962422    24    36
    36  N      8.147236   -3.028032    4.151179    24    35
    37  N     -4.344373    2.470975   -2.788725    24    38
    38  N     -4.548964    2.755948   -3.853630    24    37
    39  N      2.658539    3.581357   -7.733554    24    40
    40  N      1.838026    3.606483   -6.969867    24    39
    41  N     -5.005725    8.562397   -8.069293    24    42
    42  N     -5.242061    8.079487   -7.085407    24    41
    43  N     -6.656064   -3.154470   -2.391614    24    44
    44  N     -6.135208   -3.995814   -2.918814    24    43
    45  N     -9.195884    1.517951   -5.850107    24    46
    46  N     -8.170230    1.327015   -6.260797    24    45
    47  N      6.327508    7.924987   -4.232182    24    48
    48  N      6.496887    7.177091   -3.414226    24    47
    49  N      7.726504   -6.669381    7.155685    24    50
    50  N      8.291942   -7.628279    7.289403    24    49
    51  N     -2.716106   -3.494652   -1.316333    24    52
    52  N     -2.990055   -4.549395   -1.580074    24    51
    53  N      8.684614   -8.381436   -1.321670    24    54
    54  N      7.656780   -8.455896   -1.763373    24    53
    55  N      4.890432   -0.104959    6.455000    24    56
    56  N      5.423086   -0.578374    7.320591    24    55
    57  N     -4.387149    2.281327    5.518184    24    58
    58  N     -3.490504    2.904590    5.772465    24    57
    59  N      1.388537   -0.731657   -5.684815    24    60
    60  N      1.531663   -1.470195   -4.853450    24    59
    61  N     -3.356532   -9.017008   -0.657758    24    62
    62  N     -2.384111   -8.668750   -0.221634    24    61
    63  N     -9.182307    4.038234    3.041059    24    64
    64  N     -8.289410    4.711090    3.125258    24    63
    65  N      6.864404   -3.345090    7.525702    24    66
    66  N      5.919411   -3.783778    7.939987    24    65
    67  N     -0.534684   -8.125942   -3.059559    24    68
    68  N     -0.336813   -7.023845   -3.117171    24    67
    69  N     -4.715475    5.907668    3.252271    24    70
    70  N     -4.807980    4.957421    2.664425    24    69
    71  N     -0.352347   -3.119440    3.750327    24    72
    72  N      0.092111   -2.781791    4.722716    24    71
    73  N      2.958755   -1.555631   -8.537852    24    74
    74  N      2.313297   -1.222445   -9.391938    24    73
    75  N     -4.662230    6.001798   -1.382484    24    76
    76  N     -5.221728    6.103343   -0.416182    24    75
    77  N      7.102771   -1.924284   -0.705431    24    78
    78  N      7.155269   -1.428740    0.298944    24    77
    79  N      4.795892   -8.359461    4.785736    24    80
    80  N      4.514106   -8.473598    5.864930    24    79
    81  N     -0.870756   -0.736703    0.247886    24    82
    82  N     -0.974903   -1.637202    0.907695    24    81
    83  N     -2.317333   -8.623208    4.190435    24    84
    84  N     -1.701070   -9.116427    3.394167    24    83
    85  N      4.360768   -8.141297   -2.699256    24    86
    86  N      3.820942   -7.426544   -3.373648    24    85
    87  N     -1.402199    4.632018    3.669604    24    88
    88  N     -0.607426    4.249023    4.361514    24    87
    89  N     -6.139258   -6.668071   -5.135426    24    90
    90  N     -5.584470   -5.812641   -5.601839    24    89
    91  N     -8.377942   -3.152068    1.141142    24    92
    92  N     -7.694687   -3.976503    0.808638    24    91
    93  N     -2.612691   -5.343770    6.855768    24    94
    94  N     -1.609391   -5.821754    6.707408    24    93
    95  N     -5.346596    4.589032   -7.819975    24    96
    96  N     -4.664205    4.396232   -6.951493    24    95
    97  N      6.773980    3.921464   -5.600424    24    98
    98  N      6.966751    5.022706   -5.685253    24    97
    99  N     -3.498609   -1.296112    7.284411    24   100
   100  N     -3.268216   -2.369569    7.511789    24    99
   101  N     -7.456875    8.194475    0.733800    24   102
   102  N     -8.065380    7.385347    1.215591    24   101
   103  N     -5.966466    6.482156    7.452113    24   104
   104  N     -5.557923    5.848818    6.622014    24   103
   105  N     -1.149599    3.122372   -0.205553    24   106
   106  N     -2.190177    3.528956   -0.110811    24   105
   107  N      1.910195   -7.348100    4.203234    24   108
   108  N      0.827534   -7.294227    3.916821    24   107
   109  N      6.081856    6.858438    0.461772    24   110
   110  N      6.782965    6.259977   -0.176490    24   109
   111  N     -7.000088   -4.773856    4.142919    24   112
   112  N     -7.134382   -5.333930    5.104882    24   111
   113  N     -4.448710   -0.536090   -0.198107    24   114
   114  N     -4.746125   -0.871038   -1.225942    24   113
   115  N      1.904758    6.247257    8.970725    24   116
   116  N      2.341814    6.381845    7.947028    24   115
   117  N      2.021866    7.773536    4.202472    24   118
   118  N      0.989475    7.370126    4.371340    24   117
   119  N      6.573622    7.321732    6.908335    24   120
   120  N      6.342149    6.225168    6.940866    24   119
   121  N     -5.693986   -8.576289    3.655805    24   122
   122  N     -5.174824   -8.800655    2.687703    24   121
   123  N     -3.662164    1.349791    2.443519    24   124
   124  N     -4.754853    1.179326    2.258957    24   123
   125  N      8.220959   -1.576260   -4.077155    24   126
   126  N      7.269003   -2.115348   -4.322620    24   125
   127  N     -2.844312   -6.471274   -8.040977    24   128
   128  N     -2.798412   -7.070400   -7.094388    24   127
   129  N     -9.469980   -3.140610   -6.823855    24   130
   130  N     -8.687933   -3.807155   -7.272420    24   129
   131  N      5.190219   -4.443314   -3.716276    24   132
   132  N      4.311918   -3.816671   -3.411324    24   131
   133  N     -6.622245   -7.065956   -0.001468    24   134
   134  N     -6.430668   -6.778829   -1.068213    24   133
   135  N      1.042606   -8.795725    0.493146    24   136
   136  N      1.798176   -9.024445   -0.303028    24   135
   137  N     -8.738593    3.833755    7.651963    24   138
   138  N     -8.410603    3.140365    8.469718    24   137
   139  N     -2.376946   -4.315593   -4.787904    24   140
   140  N     -1.811016   -3.826127   -5.622912    24   139
   141  N     -8.843634    8.259413    5.455052    24   142
   142  N     -8.016415    7.534197    5.238579    24   141
   143  N      8.967285    0.905918    1.390440    24   144
   144  N      8.951505    0.631420    2.477404    24   143
   145  N     -4.851526   -8.793670    6.667047    24   146
   146  N     -4.389479   -7.920274    7.196934    24   145
   147  N     -1.880153   -0.522869   -3.752083    24   148
   148  N     -1.659505    0.260781   -2.981177    24   147
   149  N      7.354536    2.010478   -2.409008    24   150
   150  N      6.895036    2.298972   -1.427825    24   149
   151  N     -7.048902   -1.737312    7.380962    24   152
   152  N     -6.604676   -2.728732    7.103766    24   151
   153  N      1.765386    8.980595   -6.867884    24   154
   154  N      1.531617    8.680358   -5.813228    24   153
   155  N      5.412969    2.554204    1.418501    24   156
   156  N      6.327014    3.138899    1.700893    24   155
   157  N      8.603047    6.552102   -8.293360    24   158
   158  N      9.124199    7.527628   -8.477310    24   157
   159  N     -0.718131    3.521898    8.498510    24   160
   160  N     -1.524676    3.333464    9.254201    24   159
   161  N      1.527010   -5.091164    7.862657    24   162
   162  N      1.964243   -5.210361    6.837129    24   161
   163  N      0.953465   -8.316820    7.292301    24   164
   164  N      0.427561   -8.326057    8.282467    24   163
   165  N      0.224279   -3.387740   -2.590902    24   166
   166  N      1.055723   -4.081392   -2.881822    24   165
   167  N      5.192478   -4.818203    4.955121    24   168
   168  N      4.355496   -4.432215    4.316716    24   167
   169  N     -4.482458   -3.488080   -7.432232    24   170
   170  N     -5.164141   -3.493239   -8.322384    24   169
   171  N     -0.736916    2.719810   -5.543555    24   172
   172  N     -1.006597    3.570358   -4.864639    24   171
   173  N      6.540370    2.730472    5.511560    24   174
   174  N      6.203323    3.509089    4.778592    24   173
   175  N     -5.065495   -0.963498   -4.282972    24   176
   176  N     -5.882786   -1.208014   -5.010528    24   175
   177  N      2.532459   -0.745086   -1.421188    24   178
   178  N      3.606120   -0.422312   -1.408564    24   177
   179  N      5.350167   -6.912498   -7.374912    24   180
   180  N      4.407699   -6.623734   -7.909196    24   179
   181  N      2.672697   -3.357995    0.930404    24   182
   182  N      3.788891   -3.282524    1.004613    24   181
   183  N      8.391874   -6.635950    3.425867    24   184
   184  N      9.030334   -7.453245    2.999855    24   183
   185  N      6.727285    7.244909    3.606476    24   186
   186  N      5.640263    6.994351    3.493817    24   185
   187  N      5.325605    0.254885   -7.028543    24   188
   188  N      6.240155   -0.254874   -7.429584    24   187
   189  N      3.714217    0.204118    2.484932    24   190
   190  N      3.516017   -0.785350    2.973561    24   189
   191  N     -1.750639    6.242236   -2.485887    24   192
   192  N     -1.401248    7.028232   -3.205072    24   191
   193  N      2.361831    5.489484    0.456715    24   194
   194  N      2.268019    4.729828    1.275990    24   193
   195  N      2.692458    3.152046    4.640861    24   196
   196  N      2.732437    3.700801    5.617773    24   195
   197  N     -3.952416   -1.987742    3.841028    24   198
   198  N     -4.180098   -2.631745    2.951920    24   197
   199  N      4.739559   -7.644321    1.334460    24   200
   200  N      3.915727   -6.887098    1.405199    24   199
   201  N     -5.530233    1.207911   -8.545566    24   202
   202  N     -5.280080    0.117224   -8.475464    24   201
   203  N     -1.095916    6.648147    1.428340    24   204
   204  N     -2.086693    6.578859    0.908098    24   203
   205  N     -9.033656   -5.061849   -4.192401    24   206
   206  N     -9.169071   -5.519599   -3.177897    24   205
   207  N     -7.244448    4.748693   -3.967503    24   208
   208  N     -7.818153    3.907474   -4.436866    24   207
   209  N     -7.173585    0.283030    4.690502    24   210
   210  N     -7.458776    1.073199    5.433057    24   209
   211  N      0.834127    0.878737    6.453298    24   212
   212  N      0.100953    0.040667    6.322209    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.777838    4.286352   -1.254578    24     2
     2  N     -8.745803    3.591183   -0.375487    24     1
     3  N     -8.170547   -0.194576   -2.000573    24     4
     4  N     -8.079211    0.718256   -2.645153    24     3
     5  N     -3.283421   -5.514883    1.752749    24     6
     6  N     -3.952479   -4.774496    2.263903    24     5
     7  N     -8.378969   -8.433453   -6.358203    24     8
     8  N     -9.446219   -8.527519   -6.027722    24     7
     9  N      3.859173    2.443056    9.551088    24    10
    10  N      3.628996    2.570700    8.461219    24     9
    11  N     -2.858237    6.749139    8.489155    24    12
    12  N     -1.989273    7.100175    7.873717    24    11
    13  N      6.999290   -5.468805   -0.193716    24    14
    14  N      7.506607   -5.184625    0.764909    24    13
    15  N     -0.816251    6.535593   -6.656557    24    16
    16  N     -1.519769    7.408414   -6.638239    24    15
    17  N     -7.617928   -6.297009    9.517613    24    18
    18  N     -7.054431   -5.720376    8.738476    24    17
    19  N      4.954631    7.192910   -7.912484    24    20
    20  N      5.069011    6.190201   -8.400931    24    19
    21  N     -4.381725    8.025963   -3.837545    24    22
    22  N     -3.724337    7.214793   -4.246119    24    21
    23  N      1.963760    7.462730   -3.322152    24    24
    24  N      1.485667    7.343181   -4.329240    24    23
    25  N     -0.865720   -0.381136   -7.100294    24    26
    26  N     -1.316891   -1.377639   -7.346292    24    25
    27  N      2.952522   -3.737844   -6.447496    24    28
    28  N      2.486565   -4.757635   -6.447263    24    27
    29  N      1.273343    1.912677    0.994331    24    30
    30  N      0.396660    1.768214    1.678177    24    29
    31  N      1.465938    2.732743   -2.486301    24    32
    32  N      1.607546    3.762119   -2.065089    24    31
    33  N      0.397452   -5.397693    1.457287    24    34
    34  N     -0.242747   -5.554171    0.550231    24    33
    35  N      7.924019   -1.977315    4.972937    24    36
    36  N      8.601188   -2.579205    4.312437    24    35
    37  N     -5.278032    3.068528   -3.879875    24    38
    38  N     -4.596481    3.753947   -3.311739    24    37
    39  N      3.747341    4.110054   -5.035984    24    40
    40  N      4.675066    3.867754   -5.617110    24    39
    41  N     -5.978978    8.707976   -8.334683    24    42
    42  N     -5.228445    8.222229   -7.658045    24    41
    43  N     -6.500132   -3.908790   -3.887291    24    44
    44  N     -7.287650   -4.230207   -3.156813    24    43
    45  N     -7.928399    1.224110   -6.516123    24    46
    46  N     -7.626128    0.333485   -7.126459    24    45
    47  N      6.025660    8.211616   -4.999036    24    48
    48  N      5.134210    8.177946   -4.319867    24    47
    49  N      8.577124   -6.934094    5.913942    24    50
    50  N      8.364710   -6.194064    6.729003    24    49
    51  N     -3.496192   -3.599169   -1.476185    24    52
    52  N     -3.924881   -4.270100   -2.265594    24    51
    53  N      7.174562   -8.354601   -2.062486    24    54
    54  N      7.157894   -8.963544   -1.121210    24    53
    55  N      5.466126   -0.209232    7.788855    24    56
    56  N      4.927098   -0.850058    7.043281    24    55
    57  N     -3.911794    3.313321    6.821537    24    58
    58  N     -2.900063    3.028826    7.212116    24    57
    59  N      2.378724   -0.537231   -5.302147    24    60
    60  N      2.778959    0.169695   -4.529387    24    59
    61  N     -3.476318   -7.831941   -0.346787    24    62
    62  N     -4.243959   -8.520222    0.093767    24    61
    63  N     -7.442144    4.502640    3.617404    24    64
    64  N     -8.141729    4.319698    2.760548    24    63
    65  N      5.199487   -3.546312   -8.708079    24    66
    66  N      5.814687   -4.265084   -8.106425    24    65
    67  N     -1.413384   -8.321774   -3.806850    24    68
    68  N     -1.929374   -7.328566   -3.873058    24    67
    69  N     -4.738124    6.427801    3.998047    24    70
    70  N     -5.004476    6.419129    5.087116    24    69
    71  N     -0.318012   -2.822779    4.185759    24    72
    72  N      0.558537   -2.237614    4.568295    24    71
    73  N      2.755111   -0.564802   -8.788341    24    74
    74  N      2.079964   -1.458691   -8.835552    24    73
    75  N     -5.613851    6.223698   -0.217154    24    76
    76  N     -4.776601    6.204010    0.528308    24    75
    77  N      6.762055   -1.626605    0.251783    24    78
    78  N      6.728856   -0.950544    1.145611    24    77
    79  N      4.326954   -8.058456    6.124594    24    80
    80  N      5.184272   -8.763355    5.965814    24    79
    81  N     -0.815301   -2.236287    0.851063    24    82
    82  N     -0.629057   -2.282483   -0.253595    24    81
    83  N     -2.317509   -9.389163    4.339914    24    84
    84  N     -1.922631   -8.401794    3.984578    24    83
    85  N      2.373772   -7.630752   -2.490931    24    86
    86  N      3.457021   -7.383359   -2.341081    24    85
    87  N     -0.992971    4.693681    5.710289    24    88
    88  N     -0.217883    3.992187    5.305029    24    87
    89  N     -5.640818   -6.418787   -6.142817    24    90
    90  N     -4.947930   -6.842730   -5.369986    24    89
    91  N     -6.667353   -2.957188    1.534095    24    92
    92  N     -7.153280   -3.730624    2.184294    24    91
    93  N     -2.390933   -5.065370    5.257018    24    94
    94  N     -3.010344   -5.818065    5.810976    24    93
    95  N     -4.203762    4.618955   -7.471104    24    96
    96  N     -4.259080    3.755715   -8.184438    24    95
    97  N      8.029348    4.093588   -7.127731    24    98
    98  N      7.817760    4.530838   -6.117220    24    97
    99  N     -0.526772   -3.227762    7.764265    24   100
   100  N     -1.595120   -2.889142    7.731718    24    99
   101  N     -8.127097    7.802549    1.453682    24   102
   102  N     -8.855045    7.322353    0.748989    24   101
   103  N     -6.415081    5.000010    7.971054    24   104
   104  N     -7.448079    4.947627    7.538319    24   103
   105  N     -1.606798    2.531682   -0.668368    24   106
   106  N     -2.549313    3.113144   -0.843455    24   105
   107  N      2.277099   -5.634555    4.575158    24   108
   108  N      1.181116   -5.861927    4.510257    24   107
   109  N      4.455993    5.043752   -1.554928    24   110
   110  N      5.247808    5.749850   -1.917616    24   109
   111  N     -7.204015   -4.791845    5.445603    24   112
   112  N     -6.105934   -4.588428    5.345970    24   111
   113  N     -4.787726    0.110715   -1.037265    24   114
   114  N     -4.225663    0.305301   -0.086837    24   113
   115  N      2.484653    5.453295    7.580812    24   116
   116  N      3.286295    6.111904    7.155734    24   115
   117  N      1.787548    7.826073    3.980849    24   118
   118  N      1.053000    6.979031    3.973921    24   117
   119  N      7.469169    5.290327    6.052368    24   120
   120  N      7.223494    4.451094    6.754096    24   119
   121  N     -5.398574   -7.904356    2.954335    24   122
   122  N     -5.791083   -8.734438    3.597756    24   121
   123  N     -3.943745    2.456299    2.484571    24   124
   124  N     -4.512013    3.377898    2.775805    24   123
   125  N      8.066709   -2.351706   -3.448545    24   126
   126  N      7.799487   -1.808733   -4.392401    24   125
   127  N     -1.604765   -7.329161   -7.717008    24   128
   128  N     -2.683423   -7.616626   -7.821644    24   127
   129  N     -8.680436   -2.785322   -6.862016    24   130
   130  N     -9.496291   -2.562948   -7.598235    24   129
   131  N      4.644339   -2.394017   -3.479335    24   132
   132  N      4.416932   -3.251442   -2.793625    24   131
   133  N     -8.077329   -6.974790    0.159510    24   134
   134  N     -7.220269   -6.329101   -0.165489    24   133
   135  N      0.769982   -9.569917    0.357065    24   136
   136  N      0.145993   -8.664047    0.139974    24   135
   137  N      9.085607    2.101262    8.581556    24   138
   138  N      7.972769    1.997136    8.670092    24   137
   139  N     -1.722338   -4.280595   -5.651174    24   140
   140  N     -2.590185   -3.772991   -5.154918    24   139
   141  N     -8.534266    7.810292    5.174698    24   142
   142  N     -8.484726    8.215509    6.218936    24   141
   143  N     -7.416363    0.465175    1.527291    24   144
   144  N     -8.344609   -0.146291    1.674118    24   143
   145  N     -4.951334   -8.210359    6.933722    24   146
   146  N     -6.066633   -8.097477    6.912353    24   145
   147  N     -0.749167   -0.370655   -3.534779    24   148
   148  N     -1.738990   -0.210012   -3.033248    24   147
   149  N      6.224825    2.185215   -3.077684    24   150
   150  N      6.424297    1.177243   -3.526341    24   149
   151  N     -7.852074   -1.931527    7.348970    24   152
   152  N     -8.079571   -0.928914    7.796295    24   151
   153  N      2.322492   -8.450484   -6.892362    24   154
   154  N      2.502077   -7.903061   -5.930506    24   153
   155  N      4.506936    2.865924    1.262207    24   156
   156  N      5.520752    2.594654    0.867644    24   155
   157  N      9.458416    7.198799   -9.006975    24   158
   158  N      8.432246    7.649110   -9.042784    24   157
   159  N      0.594916    3.000193   -8.337396    24   160
   160  N     -0.184604    3.607853   -8.866723    24   159
   161  N      2.334711   -5.652656    8.763445    24   162
   162  N      1.755326   -5.817036    7.817728    24   161
   163  N      0.343227   -9.201631    6.899685    24   164
   164  N     -0.307181   -8.289152    6.937665    24   163
   165  N      0.240174   -4.471255   -2.782299    24   166
   166  N      1.109775   -3.946832   -3.257550    24   165
   167  N      5.310033   -4.530866    3.459070    24   168
   168  N      5.655204   -5.063977    4.383050    24   167
   169  N     -3.845931   -4.530155   -8.479941    24   170
   170  N     -4.039920   -3.453116   -8.236132    24   169
   171  N     -1.934937    3.121808   -5.550198    24   172
   172  N     -1.084833    2.910012   -4.850516    24   171
   173  N      7.202081    1.335483    4.712825    24   174
   174  N      6.652674    2.126034    4.138135    24   173
   175  N     -4.204208   -0.679769   -5.013861    24   176
   176  N     -5.204355   -0.217504   -4.806242    24   175
   177  N      3.280448   -0.200855   -0.718459    24   178
   178  N      3.662404    0.694448   -1.274904    24   177
   179  N      5.784049   -7.626423   -7.334787    24   180
   180  N      5.354713   -7.761487   -8.361684    24   179
   181  N      3.623668   -3.962825    0.500994    24   182
   182  N      2.667535   -3.378620    0.460903    24   181
   183  N      6.936716   -8.241816    2.960091    24   184
   184  N      7.946329   -8.709729    3.097312    24   183
   185  N      7.054802    6.480976    2.336116    24   186
   186  N      6.373601    5.666306    1.976442    24   185
   187  N      6.054377    0.159031   -6.813312    24   188
   188  N      5.982771   -0.873837   -7.243596    24   187
   189  N      4.582644   -0.775509    3.451903    24   190
   190  N      4.239879   -1.842406    3.415400    24   189
   191  N     -1.605606    6.192516   -1.875959    24   192
   192  N     -1.014705    5.443904   -2.465454    24   191
   193  N      1.742091    5.435643    1.074553    24   194
   194  N      2.656699    6.063720    1.236111    24   193
   195  N      3.477404    3.180583    5.290277    24   196
   196  N      2.817577    3.348001    4.399386    24   195
   197  N     -3.141136   -0.571611    4.635016    24   198
   198  N     -4.009767   -1.244989    4.413349    24   197
   199  N      3.364776   -7.651227    1.609091    24   200
   200  N      4.335563   -7.310928    1.163156    24   199
   201  N     -4.482618    0.031299   -9.271938    24   202
   202  N     -3.825208    0.403588   -8.443504    24   201
   203  N     -1.499584    6.272113    1.536214    24   204
   204  N     -1.684034    5.271704    2.007647    24   203
   205  N      7.360378   -5.785539   -5.229741    24   206
   206  N      6.460477   -5.137577   -5.064174    24   205
   207  N     -7.341047    6.036770   -4.331057    24   208
   208  N     -7.570616    7.122142   -4.493396    24   207
   209  N     -6.238602    1.382404    5.066892    24   210
   210  N     -7.308819    1.496846    5.380944    24   209
   211  N      1.322137    0.683685    7.074796    24   212
   212  N      0.763096    0.441901    6.133465    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.481730    4.364457   -0.127548    24     2
     2  N     -8.730089    4.786313   -1.136232    24     1
     3  N     -8.958372    1.481343   -2.384310    24     4
     4  N     -9.192028    1.782065   -3.438853    24     3
     5  N     -4.314025   -3.955733    2.355039    24     6
     6  N     -3.371628   -4.215934    1.806157    24     5
     7  N     -8.319294   -7.783876   -5.704297    24     8
     8  N     -9.026908   -6.988750   -5.351953    24     7
     9  N      3.224702    1.984618    8.161702    24    10
    10  N      2.707505    2.973792    8.056189    24     9
    11  N     -4.200740    6.841894    8.027890    24    12
    12  N     -3.198343    6.833932    8.530109    24    11
    13  N      7.057033   -5.139127   -0.921230    24    14
    14  N      7.454454   -4.183879   -0.489203    24    13
    15  N     -1.384119    6.896726   -6.899440    24    16
    16  N     -0.293269    6.885537   -7.158304    24    15
    17  N     -7.828226   -6.352548   -9.206291    24    18
    18  N     -7.045008   -6.637248   -8.456220    24    17
    19  N      5.580976    6.284025   -8.750231    24    20
    20  N      4.985289    5.358834   -8.965329    24    19
    21  N     -4.801868    6.865608   -4.552938    24    22
    22  N     -5.369244    7.341565   -3.711131    24    21
    23  N      3.209929    7.619780   -2.753910    24    24
    24  N      2.105328    7.427563   -2.754036    24    23
    25  N     -1.000807   -0.017306   -7.030229    24    26
    26  N     -0.739615    0.017559   -8.120023    24    25
    27  N      0.766592   -3.724239   -6.131932    24    28
    28  N      1.163921   -4.763994   -6.266571    24    27
    29  N      0.413632    2.707730    3.457812    24    30
    30  N     -0.032257    1.681189    3.524779    24    29
    31  N      1.448212    3.660167   -0.707504    24    32
    32  N      1.957332    3.900547   -1.677093    24    31
    33  N      0.269077   -6.070125    2.179655    24    34
    34  N     -0.079251   -6.271018    1.133041    24    33
    35  N     -8.734801   -3.503727    3.822473    24    36
    36  N     -8.794144   -2.392959    3.963044    24    35
    37  N     -5.222103    3.318371   -2.815072    24    38
    38  N     -5.860047    2.407152   -2.674368    24    37
    39  N      3.514612    4.378134   -5.818349    24    40
    40  N      3.694655    5.004868   -4.906275    24    39
    41  N     -6.386170    8.211831   -8.289891    24    42
    42  N     -6.179702    8.084072   -7.195296    24    41
    43  N     -7.609030   -4.566352   -2.800659    24    44
    44  N     -7.682680   -3.867863   -3.674603    24    43
    45  N     -7.653986    1.280513   -7.497785    24    46
    46  N     -7.703111    1.278863   -6.377662    24    45
    47  N      5.967812    7.709230   -5.270529    24    48
    48  N      6.482551    8.329253   -6.050082    24    47
    49  N     -8.207719   -6.226997    5.630119    24    50
    50  N     -9.249655   -6.618134    5.494209    24    49
    51  N     -3.822946   -5.217605   -2.011175    24    52
    52  N     -3.496001   -5.745321   -1.077520    24    51
    53  N      6.820914   -8.442974   -2.051277    24    54
    54  N      7.486269   -9.086230   -1.418336    24    53
    55  N      5.038067    0.258228    6.017286    24    56
    56  N      5.459575   -0.284273    6.903351    24    55
    57  N     -4.224745    2.447531    7.660096    24    58
    58  N     -3.345042    3.034813    7.288194    24    57
    59  N      2.179533    1.477249   -5.675128    24    60
    60  N      3.087423    0.823553   -5.749333    24    59
    61  N     -3.655786    8.202228   -0.817606    24    62
    62  N     -3.071336    9.157376   -0.761021    24    61
    63  N     -8.048291    4.985282    3.134626    24    64
    64  N     -7.987194    3.875578    3.282657    24    63
    65  N      7.573515   -4.195107    8.302537    24    66
    66  N      7.316575   -4.837723    7.420428    24    65
    67  N     -0.451780   -7.580642   -2.852818    24    68
    68  N     -1.337724   -7.985351   -3.408159    24    67
    69  N     -5.021850    6.015300    3.988398    24    70
    70  N     -3.976521    5.935149    4.385831    24    69
    71  N      1.214099   -2.709958    3.775656    24    72
    72  N      0.887084   -3.469686    4.532600    24    71
    73  N      2.906357   -1.842636    8.712007    24    74
    74  N      3.558428   -1.332009    9.467755    24    73
    75  N     -5.462826    4.647982    0.019349    24    76
    76  N     -4.622515    4.777162    0.750293    24    75
    77  N      7.666343   -1.629682    1.433158    24    78
    78  N      7.494635   -0.831452    0.664761    24    77
    79  N      5.058595   -8.673814    5.519042    24    80
    80  N      4.553272   -8.618950    6.518406    24    79
    81  N     -2.180443   -0.837122    2.121595    24    82
    82  N     -2.981251   -0.675149    1.353765    24    81
    83  N     -2.811387   -9.045306    3.236552    24    84
    84  N     -2.275330   -8.376635    2.513634    24    83
    85  N      2.459290   -5.912519   -1.866503    24    86
    86  N      3.031034   -6.852909   -2.080662    24    85
    87  N     -0.324615    5.974310    5.710931    24    88
    88  N     -0.655516    4.909707    5.591703    24    87
    89  N     -5.355413   -6.927384   -4.716737    24    90
    90  N     -4.700672   -7.814893   -4.918559    24    89
    91  N     -7.697707   -3.755842    0.489553    24    92
    92  N     -6.926052   -4.564134    0.398446    24    91
    93  N     -1.607504   -5.662355    5.737731    24    94
    94  N     -2.374310   -5.830990    4.937318    24    93
    95  N     -4.677860    4.402644   -7.267603    24    96
    96  N     -3.728830    4.097553   -6.754425    24    95
    97  N      7.574054    4.763225   -6.842737    24    98
    98  N      8.479796    4.360663   -6.318653    24    97
    99  N     -0.113253   -3.550211    8.569354    24   100
   100  N     -1.073333   -3.469669    7.995900    24    99
   101  N     -7.552924    8.210460    1.201712    24   102
   102  N     -7.120958    7.244134    0.831969    24   101
   103  N     -7.626063    5.715404    8.134566    24   104
   104  N     -7.250670    5.481126    7.104380    24   103
   105  N     -2.506245    2.540649   -0.904917    24   106
   106  N     -2.277715    1.888362   -0.022089    24   105
   107  N      3.008294   -5.731225    5.344832    24   108
   108  N      2.225557   -6.530591    5.271169    24   107
   109  N      5.201959    4.895808   -2.038233    24   110
   110  N      6.157246    5.376047   -2.375704    24   109
   111  N     -6.148362   -3.274592    5.809058    24   112
   112  N     -5.677302   -4.222778    5.440095    24   111
   113  N     -5.441623   -1.074007   -0.965436    24   114
   114  N     -5.271901   -2.181736   -0.930495    24   113
   115  N      2.774268    5.887257    6.619684    24   116
   116  N      3.703760    6.352578    6.199437    24   115
   117  N      0.717491    8.347412    3.534889    24   118
   118  N      1.574473    8.812326    4.088537    24   117
   119  N      7.632038    6.404663    6.190131    24   120
   120  N      7.087137    6.064222    5.271288    24   119
   121  N     -5.623281   -6.906034    2.466822    24   122
   122  N     -6.530017   -6.737139    3.104313    24   121
   123  N     -3.446734    1.458978    4.196968    24   124
   124  N     -3.058309    2.510691    4.186183    24   123
   125  N      7.921705   -2.595192   -2.875339    24   126
   126  N      8.047881   -1.649250   -3.463866    24   125
   127  N     -1.822734   -7.774764   -6.834412    24   128
   128  N     -2.614177   -8.199493   -7.505466    24   127
   129  N      8.966181   -3.757075   -6.962223    24   130
   130  N      8.336567   -3.739358   -6.034666    24   129
   131  N      3.791592   -2.965857   -3.291581    24   132
   132  N      4.396680   -3.049818   -2.351417    24   131
   133  N     -7.603145   -7.948501   -2.098737    24   134
   134  N     -6.649877   -7.980245   -1.509363    24   133
   135  N      0.568733    8.367851    0.086062    24   136
   136  N      1.161448    9.261004    0.414781    24   135
   137  N      6.591112    2.338062    8.450081    24   138
   138  N      7.689682    2.211440    8.635017    24   137
   139  N     -2.604741   -4.153747   -5.221007    24   140
   140  N     -2.778527   -3.620265   -6.191721    24   139
   141  N     -8.047893    8.276350    5.127388    24   142
   142  N     -7.199178    8.772513    4.588320    24   141
   143  N     -6.739288    1.029491    1.898091    24   144
   144  N     -7.357970    0.095047    1.864408    24   143
   145  N     -4.589986   -8.027315    5.778493    24   146
   146  N     -5.174063   -7.274857    6.369891    24   145
   147  N     -1.897177   -0.189575   -2.938633    24   148
   148  N     -2.667144   -0.966799   -2.693351    24   147
   149  N      5.493110    1.985395   -3.428170    24   150
   150  N      5.089167    1.462980   -2.522079    24   149
   151  N     -9.600242   -0.856511    8.290942    24   152
   152  N     -8.575166   -1.301716    8.380935    24   151
   153  N      2.580532   -8.639103   -5.739858    24   154
   154  N      1.827739   -8.252234   -6.475198    24   153
   155  N      5.723900    2.907297    0.425161    24   156
   156  N      6.810281    2.632348    0.460809    24   155
   157  N      8.128257   -9.356073    7.963234    24   158
   158  N      8.329817   -8.847552    8.941942    24   157
   159  N     -1.201942    3.374774   -8.666611    24   160
   160  N     -0.622345    4.054213   -9.344490    24   159
   161  N      2.526863   -5.779297   -9.034203    24   162
   162  N      3.090788   -6.744423   -8.946969    24   161
   163  N     -1.098798    9.075231    7.366689    24   164
   164  N     -0.021135    8.802348    7.220857    24   163
   165  N      0.002469   -3.667536   -2.663486    24   166
   166  N      0.314498   -3.049926   -1.781283    24   165
   167  N      6.013510   -3.594414    4.787777    24   168
   168  N      6.041757   -4.608345    4.310039    24   167
   169  N     -3.848339   -5.696067    9.054145    24   170
   170  N     -4.283267   -4.773869    8.587801    24   169
   171  N     -1.169500    3.164977   -4.624407    24   172
   172  N     -0.541831    4.086690   -4.740867    24   171
   173  N      8.405098    1.467361    3.975628    24   174
   174  N      7.403325    1.124117    3.607224    24   173
   175  N     -5.190254   -1.123916   -5.200262    24   176
   176  N     -5.860894   -1.928648   -5.599935    24   175
   177  N      1.273472    0.320324   -1.817645    24   178
   178  N      2.011883    0.354754   -0.974642    24   177
   179  N      6.993630   -6.597029   -7.436557    24   180
   180  N      5.972790   -6.955465   -7.730661    24   179
   181  N      3.245143   -4.637839    1.182998    24   182
   182  N      3.294612   -3.680998    0.600677    24   181
   183  N      7.129712   -6.871964    1.850371    24   184
   184  N      8.241223   -6.732605    1.803330    24   183
   185  N      6.750544    6.502712    1.811465    24   186
   186  N      7.529379    7.221472    1.445557    24   185
   187  N      6.517893   -0.269272   -5.729057    24   188
   188  N      7.019354    0.284109   -6.565355    24   187
   189  N      3.172894    0.056610    3.299194    24   190
   190  N      3.968483   -0.437241    2.682558    24   189
   191  N     -1.906723    5.965400   -2.101936    24   192
   192  N     -0.882541    5.532147   -1.958997    24   191
   193  N      2.986577    6.032094    1.976134    24   194
   194  N      3.439400    5.135314    1.478311    24   193
   195  N      4.396346    3.088798    4.085000    24   196
   196  N      4.719836    3.392645    5.114621    24   195
   197  N     -3.223691   -1.786505    5.629216    24   198
   198  N     -2.539510   -2.416690    5.003232    24   197
   199  N      4.634172   -9.390121    0.905470    24   200
   200  N      4.522234   -8.422587    0.350100    24   199
   201  N     -4.852044   -0.692329    8.547012    24   202
   202  N     -3.749689   -0.744125    8.745060    24   201
   203  N     -1.223948    5.794168    2.469329    24   204
   204  N     -1.627523    5.081698    1.703430    24   203
   205  N      4.708198   -6.035681   -4.798369    24   206
   206  N      5.645136   -5.627713   -4.337068    24   205
   207  N     -8.947355    6.750608   -4.173595    24   208
   208  N     -8.901117    7.420019   -3.275353    24   207
   209  N     -6.335528    0.789909    5.489255    24   210
   210  N     -6.954481    1.080276    6.377892    24   209
   211  N      0.385217    0.348427    7.119066    24   212
   212  N     -0.382634   -0.337175    6.674720    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.151046    3.299441    0.142361    24     2
     2  N     -9.208370    3.080341    0.444271    24     1
     3  N      7.173099    1.923278   -2.827441    24     4
     4  N      8.065493    1.647965   -3.447865    24     3
     5  N     -4.651205   -4.770615    3.116130    24     6
     6  N     -4.771883   -3.935596    2.377706    24     5
     7  N      8.550317   -7.900527   -5.702096    24     8
     8  N      8.282913   -6.917900   -5.233025    24     7
     9  N      2.990290    3.700133   -8.583129    24    10
    10  N      2.434846    4.525437   -9.100280    24     9
    11  N     -3.732562    6.348132    9.182673    24    12
    12  N     -3.526258    7.357258    8.739738    24    11
    13  N      5.485531   -4.944846   -0.684170    24    14
    14  N      5.020610   -4.443943   -1.573009    24    13
    15  N     -2.351244    7.482213   -5.775898    24    16
    16  N     -1.500985    7.079278   -6.385644    24    15
    17  N     -7.267619   -6.555733   -9.315038    24    18
    18  N     -7.002543   -7.114712   -8.379962    24    17
    19  N      5.212609    7.317166    9.096388    24    20
    20  N      5.543398    7.695916    8.094282    24    19
    21  N     -4.367697    6.520587   -3.155772    24    22
    22  N     -4.721142    7.574243   -3.007536    24    21
    23  N      3.054455    8.418520   -3.248803    24    24
    24  N      3.149333    8.046660   -2.195328    24    23
    25  N     -1.343741   -1.192773   -7.433121    24    26
    26  N     -1.031797   -0.158200   -7.732186    24    25
    27  N     -0.141958   -4.403954   -6.409542    24    28
    28  N      0.896193   -3.987605   -6.486905    24    27
    29  N      0.477907    2.240732    3.729072    24    30
    30  N      0.845520    2.701825    2.775477    24    29
    31  N      2.783021    5.196699   -0.514947    24    32
    32  N      1.808135    4.671413   -0.339559    24    31
    33  N     -0.730357   -5.535365    1.621603    24    34
    34  N     -1.836275   -5.469027    1.449456    24    33
    35  N     -9.147063   -1.251704    3.953236    24    36
    36  N     -8.141324   -1.728608    4.087925    24    35
    37  N     -5.737258    1.291060   -2.951291    24    38
    38  N     -6.255877    2.284712   -2.923377    24    37
    39  N      3.817447    5.606368   -5.763528    24    40
    40  N      3.440926    5.810337   -4.727325    24    39
    41  N     -6.932396    7.332461   -6.731140    24    42
    42  N     -6.653244    7.782179   -5.742748    24    41
    43  N     -7.041643   -4.802696   -3.052485    24    44
    44  N     -7.339547   -4.734249   -4.131215    24    43
    45  N     -6.832370    2.225996   -7.905653    24    46
    46  N     -7.887402    2.058093   -8.245956    24    45
    47  N      6.781630    7.495411   -5.368247    24    48
    48  N      7.821417    7.103683   -5.218309    24    47
    49  N     -9.159136   -6.089402    4.281534    24    50
    50  N     -8.199113   -5.522752    4.161733    24    49
    51  N     -4.494457   -6.078379   -1.377150    24    52
    52  N     -4.667733   -5.721270   -0.328562    24    51
    53  N      6.648073   -8.911678   -2.003966    24    54
    54  N      6.774542   -7.865311   -2.386339    24    53
    55  N      5.384188   -2.164167    5.692256    24    56
    56  N      5.213358   -1.773902    6.729367    24    55
    57  N     -3.881726    3.559633    7.525373    24    58
    58  N     -4.215419    2.984201    8.427934    24    57
    59  N      3.803380   -0.444259   -6.782942    24    60
    60  N      2.750442   -0.817384   -6.878806    24    59
    61  N     -3.085483    8.312382    0.485717    24    62
    62  N     -4.022103    8.709975    0.014811    24    61
    63  N     -7.142823    3.397797    3.431636    24    64
    64  N     -7.355940    4.010464    4.346136    24    63
    65  N      7.455698   -4.192302    8.084160    24    66
    66  N      8.057570   -4.552841    7.209603    24    65
    67  N     -0.665081   -7.705182   -3.548108    24    68
    68  N     -0.939061   -8.739559   -3.213308    24    67
    69  N     -4.613437    7.125313    4.515341    24    70
    70  N     -4.421933    6.033379    4.682962    24    69
    71  N      1.066449   -0.866343    4.361503    24    72
    72  N      0.726847   -0.753898    3.298903    24    71
    73  N      4.365340   -3.870440   -7.835788    24    74
    74  N      4.382361   -4.084208   -8.936289    24    73
    75  N     -4.409156    4.178091   -0.432748    24    76
    76  N     -4.756119    4.638534    0.528864    24    75
    77  N      6.957257   -1.283065    0.170591    24    78
    78  N      7.666164   -0.415620    0.125000    24    77
    79  N      6.769943   -8.553441    5.204367    24    80
    80  N      6.714916   -7.862344    6.085529    24    79
    81  N     -0.767845   -1.107483   -0.061045    24    82
    82  N     -1.046809   -1.997975    0.560481    24    81
    83  N     -2.437978   -9.152214    3.423852    24    84
    84  N     -2.104912   -8.086543    3.321380    24    83
    85  N      1.507186   -6.260278   -0.996799    24    86
    86  N      2.519162   -6.381163   -1.464111    24    85
    87  N     -1.334698    5.731847    6.818640    24    88
    88  N     -1.036685    5.202290    5.876384    24    87
    89  N     -5.201905   -7.520215   -4.499642    24    90
    90  N     -4.437536   -7.549136   -5.319394    24    89
    91  N     -8.297673   -4.633012    0.267455    24    92
    92  N     -8.358564   -3.624956   -0.219579    24    91
    93  N     -0.787405   -5.323236    5.883147    24    94
    94  N     -1.094508   -4.930416    4.878921    24    93
    95  N     -4.924655    4.400571   -6.472342    24    96
    96  N     -4.296997    3.659043   -5.912634    24    95
    97  N      7.325982    4.362683   -7.036333    24    98
    98  N      7.186071    3.863087   -6.042393    24    97
    99  N      0.985497   -2.847215    8.092256    24   100
   100  N      0.227931   -2.335650    7.443037    24    99
   101  N     -6.896762    6.695331    1.637683    24   102
   102  N     -6.949960    7.196990    0.636385    24   101
   103  N     -6.822490    5.601632    7.734243    24   104
   104  N     -7.854958    5.861827    7.382963    24   103
   105  N     -1.217742    3.182012   -0.147411    24   106
   106  N     -0.965828    2.260129   -0.733722    24   105
   107  N      3.520559   -6.622809    5.351013    24   108
   108  N      2.729081   -5.828684    5.346786    24   107
   109  N      6.117433    6.034207   -2.638697    24   110
   110  N      6.863851    5.931537   -1.808392    24   109
   111  N     -5.864999   -3.608775    6.283852    24   112
   112  N     -5.796689   -4.701342    6.526176    24   111
   113  N     -4.630160   -1.596687   -1.253395    24   114
   114  N     -3.894571   -2.433615   -1.378102    24   113
   115  N      2.406246    6.469778    6.219525    24   116
   116  N      3.375632    5.906611    6.204643    24   115
   117  N      1.289369   -9.557423    4.175672    24   118
   118  N      1.250749   -8.453505    4.367933    24   117
   119  N      6.604020    6.195432    5.112723    24   120
   120  N      7.410694    5.493766    5.450409    24   119
   121  N     -5.367648   -7.940234    2.369017    24   122
   122  N     -6.226484   -7.285410    2.067861    24   121
   123  N     -2.824314    2.251382    3.063385    24   124
   124  N     -3.719931    2.910459    2.919939    24   123
   125  N      7.416005   -1.653514   -3.400939    24   126
   126  N      7.753383   -2.633211   -2.972617    24   125
   127  N     -1.072525   -7.562604   -6.982893    24   128
   128  N     -1.891080   -7.919912   -7.660675    24   127
   129  N      9.078238   -4.089410   -7.076674    24   130
   130  N      8.148104   -3.593127   -6.695042    24   129
   131  N      2.827865   -2.347307   -3.221786    24   132
   132  N      2.327180   -3.177751   -3.784607    24   131
   133  N     -7.174681   -9.081833   -2.413617    24   134
   134  N     -6.947752   -8.395247   -1.556766    24   133
   135  N      0.787254    8.336608    0.031996    24   136
   136  N      0.442726    9.294354    0.502222    24   135
   137  N      7.501080    2.734382    8.216690    24   138
   138  N      8.311246    2.826790    7.447156    24   137
   139  N     -3.528057   -3.006201   -5.707700    24   140
   140  N     -4.325351   -3.414360   -5.033296    24   139
   141  N     -7.982042    8.878999    4.790058    24   142
   142  N     -7.248083    8.405170    5.492825    24   141
   143  N     -5.818291    0.100247    1.827246    24   144
   144  N     -5.482339   -0.601911    2.634215    24   143
   145  N     -3.960357   -7.693452    6.804912    24   146
   146  N     -4.620960   -8.079817    7.624312    24   145
   147  N     -1.288553   -0.228377   -4.184893    24   148
   148  N     -1.244313   -0.632660   -3.140055    24   147
   149  N      3.951917    2.934725   -2.869106    24   150
   150  N      3.780454    2.582383   -3.919603    24   149
   151  N     -8.208341   -1.936340    8.251512    24   152
   152  N     -8.171798   -1.152459    9.052313    24   151
   153  N      2.023345   -8.693553   -6.565417    24   154
   154  N      1.555662   -9.513979   -5.961047    24   153
   155  N      5.800620    3.413920    0.220730    24   156
   156  N      5.189361    2.479642    0.117879    24   155
   157  N      9.042606    8.591123   -9.388061    24   158
   158  N      8.347020    8.418657   -8.525794    24   157
   159  N     -1.132980    3.634399   -7.519920    24   160
   160  N     -0.787575    3.674537   -8.585836    24   159
   161  N      1.506013   -6.623821    8.038105    24   162
   162  N      0.936896   -6.065018    8.826099    24   161
   163  N     -1.027346   -8.605091    7.040536    24   164
   164  N     -0.226862   -9.165272    7.590546    24   163
   165  N     -1.105740   -3.992461   -3.089759    24   166
   166  N     -1.804794   -4.754453   -2.656423    24   165
   167  N      6.692006   -4.165499    2.896265    24   168
   168  N      6.213995   -4.967706    3.516795    24   167
   169  N     -2.777968   -3.944288    9.159487    24   170
   170  N     -3.193521   -4.790560    8.552669    24   169
   171  N      0.707576    3.050600   -3.802816    24   172
   172  N      0.651262    2.713199   -4.870560    24   171
   173  N      6.798349    1.418126    3.438352    24   174
   174  N      6.743129    1.056695    4.498260    24   173
   175  N     -8.446971   -0.894077   -5.138977    24   176
   176  N     -7.803270   -0.148124   -5.674041    24   175
   177  N      2.199160    0.354341   -1.336388    24   178
   178  N      1.979326    1.098269   -0.526862    24   177
   179  N      4.980219   -7.181271   -8.866309    24   180
   180  N      6.100182   -7.129974   -8.878133    24   179
   181  N      2.775464   -3.681962    1.006545    24   182
   182  N      1.980664   -3.223113    0.362461    24   181
   183  N      8.590749   -8.904513    0.923560    24   184
   184  N      8.073931   -7.914904    0.820300    24   183
   185  N      6.829497    6.506010    1.608097    24   186
   186  N      7.900528    6.264657    1.835541    24   185
   187  N      6.630313   -0.319481   -8.473476    24   188
   188  N      6.937407   -0.588993   -7.429376    24   187
   189  N      3.844177   -0.226749    2.175699    24   190
   190  N      4.565325   -0.721337    2.877424    24   189
   191  N     -0.816653    6.072551   -1.944305    24   192
   192  N     -0.496305    6.323649   -2.989014    24   191
   193  N      4.108640    6.076479    2.592145    24   194
   194  N      4.224702    5.026491    2.967837    24   193
   195  N      3.685758    1.784740    5.785310    24   196
   196  N      4.390509    2.332261    6.464011    24   195
   197  N     -2.645023   -1.172018    4.265442    24   198
   198  N     -3.156071   -1.510323    5.204310    24   197
   199  N      4.466789   -8.099618    1.181023    24   200
   200  N      3.994032   -7.784728    2.147684    24   199
   201  N     -4.344612   -0.844810    9.369918    24   202
   202  N     -4.948495   -0.715467    8.434137    24   201
   203  N     -1.335603    5.938086    2.356746    24   204
   204  N     -0.251613    6.223357    2.382743    24   203
   205  N      4.818221   -5.579286   -4.610231    24   206
   206  N      4.347072   -6.596688   -4.609144    24   205
   207  N     -7.535618    5.133863   -3.712038    24   208
   208  N     -8.387097    5.375745   -3.023878    24   207
   209  N     -6.628375    0.895389    5.872777    24   210
   210  N     -5.576041    1.006987    5.502334    24   209
   211  N     -0.644636    2.004744    7.358528    24   212
   212  N      0.245346    1.355868    7.568244    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N      8.644908    2.990661   -0.360730    24     2
     2  N      9.584603    3.272291    0.182175    24     1
     3  N      7.294145    1.499531   -3.551841    24     4
     4  N      8.146731    1.404321   -4.273729    24     3
     5  N     -4.370390   -3.590314    2.018146    24     6
     6  N     -4.267036   -3.192420    0.975032    24     5
     7  N     -8.555416   -7.883523   -5.531365    24     8
     8  N     -9.390908   -8.549601   -5.871046    24     7
     9  N      2.669936    2.756959   -7.314257    24    10
    10  N      2.889746    3.254632   -8.294611    24     9
    11  N     -4.921186    7.970891    7.783635    24    12
    12  N     -4.546584    7.761873    8.819528    24    11
    13  N      5.951424   -3.716772   -0.873722    24    14
    14  N      5.496067   -4.722895   -0.680188    24    13
    15  N     -3.158774    7.735581   -6.183084    24    16
    16  N     -2.180543    8.242622   -6.390601    24    15
    17  N     -6.368385   -4.171903   -8.090176    24    18
    18  N     -6.107400   -5.259379   -8.010340    24    17
    19  N      5.077802    6.912826   -8.118237    24    20
    20  N      5.353541    6.554057   -9.144075    24    19
    21  N     -4.469254    7.594453   -2.310846    24    22
    22  N     -4.266499    8.573580   -2.818083    24    21
    23  N      3.637069    8.449064   -2.967725    24    24
    24  N      3.744697    9.030493   -3.920326    24    23
    25  N     -0.558871    0.023033   -8.037003    24    26
    26  N     -0.550834    1.104524   -7.741368    24    25
    27  N      0.832685   -4.005238   -6.445127    24    28
    28  N      0.347742   -3.696394   -7.407693    24    27
    29  N      1.315905    2.644406    3.597277    24    30
    30  N      1.994223    3.411827    3.141165    24    29
    31  N      2.418458    4.551369   -0.358268    24    32
    32  N      2.730874    4.195773   -1.374652    24    31
    33  N     -0.908124   -6.499125    0.458825    24    34
    34  N     -1.256797   -5.672163    1.130874    24    33
    35  N      9.022051   -1.270966    4.367295    24    36
    36  N      8.225521   -0.871052    5.047514    24    35
    37  N     -7.732173   -0.778837   -3.373783    24    38
    38  N     -7.241526   -0.487640   -2.408610    24    37
    39  N      3.401889    5.810406   -5.681065    24    40
    40  N      2.503824    5.549288   -5.062690    24    39
    41  N     -7.086146    6.243166   -6.875829    24    42
    42  N     -6.977315    7.315097   -6.565653    24    41
    43  N     -8.042677   -4.395351   -3.560190    24    44
    44  N     -8.793815   -5.227702   -3.551615    24    43
    45  N     -6.987422    3.216119   -8.094422    24    46
    46  N     -7.800249    2.738459   -7.487591    24    45
    47  N      7.555985    6.849760   -6.007697    24    48
    48  N      7.052745    6.432202   -5.096936    24    47
    49  N     -6.976432   -5.440767    4.809004    24    50
    50  N     -6.978374   -4.581653    4.088582    24    49
    51  N     -3.977806   -6.799248   -1.378835    24    52
    52  N     -4.863265   -6.539560   -0.741958    24    51
    53  N      7.264048   -8.343625   -2.469809    24    54
    54  N      6.664279   -8.331127   -1.522598    24    53
    55  N      5.355749   -1.860287    6.637196    24    56
    56  N      4.708009   -1.295920    5.916771    24    55
    57  N     -3.594937    3.666898    8.469338    24    58
    58  N     -3.198374    2.628862    8.618697    24    57
    59  N      2.432079   -0.618198   -5.988955    24    60
    60  N      1.920272   -0.433512   -5.008631    24    59
    61  N     -2.944002    8.034704    0.660457    24    62
    62  N     -3.009525    8.693806    1.565102    24    61
    63  N     -7.991851    3.191141    3.754075    24    64
    64  N     -7.131593    3.742069    3.291987    24    63
    65  N      7.441191   -4.889939    6.784603    24    66
    66  N      8.424949   -4.436061    7.073226    24    65
    67  N     -1.309364   -8.533015   -3.793998    24    68
    68  N     -1.700277   -7.651418   -4.365896    24    67
    69  N     -4.833813    6.276575    4.638851    24    70
    70  N     -4.036434    6.097967    3.871143    24    69
    71  N      1.644832   -0.950884    3.955181    24    72
    72  N      0.843343   -1.573727    3.478974    24    71
    73  N      4.041257   -4.313996   -9.342398    24    74
    74  N      4.856710   -4.365463   -8.574623    24    73
    75  N     -4.345544    4.033837    0.498461    24    76
    76  N     -4.849343    3.139959    0.046515    24    75
    77  N      8.874485   -0.701364   -0.099036    24    78
    78  N      8.269822   -1.052461    0.777436    24    77
    79  N      6.012124   -7.953711    4.966650    24    80
    80  N      6.489344   -7.715832    5.952938    24    79
    81  N     -1.182957   -0.424829    1.096305    24    82
    82  N     -2.240419   -0.791707    1.161611    24    81
    83  N     -2.277488   -8.984101    4.980498    24    84
    84  N     -1.756176   -8.095236    4.538636    24    83
    85  N      2.091257   -7.007299   -1.973025    24    86
    86  N      2.050966   -6.401250   -1.030597    24    85
    87  N     -0.751898    5.545975    5.711989    24    88
    88  N      0.018538    4.968618    6.286601    24    87
    89  N     -5.347597   -6.681736   -4.504496    24    90
    90  N     -5.121662   -7.117818   -5.512403    24    89
    91  N     -8.768601   -4.703302    0.748339    24    92
    92  N     -7.955995   -3.973298    1.001031    24    91
    93  N      0.463820   -4.987683    5.304235    24    94
    94  N      0.017939   -4.552273    4.372196    24    93
    95  N     -4.974158    4.954951   -4.806368    24    96
    96  N     -3.853444    4.960073   -4.773751    24    95
    97  N      6.421752    3.560432   -7.432002    24    98
    98  N      7.435599    3.688909   -6.970812    24    97
    99  N      1.718606   -1.796948    8.000161    24   100
   100  N      1.644745   -2.292429    6.997099    24    99
   101  N     -6.926343    6.913841    0.981795    24   102
   102  N     -6.599912    6.570769   -0.034490    24   101
   103  N     -7.616733    5.515230    7.863816    24   104
   104  N     -6.819871    4.836406    7.462198    24   103
   105  N     -0.585658    3.148676   -0.512659    24   106
   106  N     -1.451340    2.449823   -0.373773    24   105
   107  N      3.823321   -4.479132    5.089425    24   108
   108  N      4.448206   -5.023690    5.844451    24   107
   109  N      6.440481    4.782732   -2.028016    24   110
   110  N      6.324137    5.895728   -1.958787    24   109
   111  N     -5.454198   -2.612399    6.793877    24   112
   112  N     -5.847110   -3.582620    7.195598    24   111
   113  N     -4.298476   -2.383028   -2.261365    24   114
   114  N     -5.166095   -3.081567   -2.389308    24   113
   115  N      3.293229    6.045848    6.197648    24   116
   116  N      3.452718    4.946391    6.046501    24   115
   117  N      1.542714   -8.677360    4.680597    24   118
   118  N      2.273221   -8.642055    5.530422    24   117
   119  N      6.890658    5.396711    6.057354    24   120
   120  N      7.574388    6.130858    6.557986    24   119
   121  N     -6.068066   -7.631389    1.951994    24   122
   122  N     -5.232276   -7.404813    2.664180    24   121
   123  N     -2.737880    2.355982    3.364946    24   124
   124  N     -2.728002    3.256426    4.032923    24   123
   125  N      6.361130   -2.536016   -5.484669    24   126
   126  N      7.102026   -1.812895   -5.054253    24   125
   127  N     -2.286287   -7.021928   -7.606904    24   128
   128  N     -2.345455   -5.942077   -7.902726    24   127
   129  N      8.348131   -5.086250   -7.751296    24   130
   130  N      8.648323   -4.446097   -6.881136    24   129
   131  N      3.786176   -2.504343   -2.786166    24   132
   132  N      2.920303   -3.200604   -2.635916    24   131
   133  N     -7.875057   -8.516675   -1.346342    24   134
   134  N     -7.705938   -9.065460   -2.309318    24   133
   135  N      1.037462    7.918963   -0.659842    24   136
   136  N      1.422155    8.578397    0.161284    24   135
   137  N      9.072676    2.283098    6.669421    24   138
   138  N      8.359589    2.861387    7.312988    24   137
   139  N     -3.890604   -3.715096   -5.906408    24   140
   140  N     -3.167716   -2.858313   -5.885305    24   139
   141  N     -7.274781   -8.910918    4.914429    24   142
   142  N     -7.504013   -9.043642    6.003891    24   141
   143  N     -6.047756   -0.832996    2.335868    24   144
   144  N     -6.645914    0.113096    2.400731    24   143
   145  N     -4.314747   -6.820360    6.827146    24   146
   146  N     -4.438602   -6.849447    7.941105    24   145
   147  N     -1.836889   -1.010702   -3.813770    24   148
   148  N     -2.199957    0.020460   -4.062721    24   147
   149  N      4.465728    1.908305   -4.794870    24   150
   150  N      3.599538    2.080372   -4.104076    24   149
   151  N      8.351164   -1.424264    8.405995    24   152
   152  N      9.317495   -0.961943    8.075010    24   151
   153  N      1.004223   -9.015348   -6.015111    24   154
   154  N      1.600023   -8.198950   -6.500505    24   153
   155  N      5.453178    2.281228   -0.351209    24   156
   156  N      5.757278    1.252737   -0.024376    24   155
   157  N      8.031083    9.372846    8.998223    24   158
   158  N      8.934646    8.766160    9.267655    24   157
   159  N     -1.111739    4.841648   -6.658509    24   160
   160  N     -0.408571    5.003913   -7.516598    24   159
   161  N      1.025129   -6.296053    8.150176    24   162
   162  N      2.023346   -6.785775    8.005869    24   161
   163  N     -0.715854    8.005877    8.467225    24   164
   164  N     -0.032549    8.446909    7.695425    24   163
   165  N     -1.126235   -4.492506   -2.288136    24   166
   166  N     -1.793406   -4.294243   -3.167148    24   165
   167  N      6.217290   -4.916848    2.703690    24   168
   168  N      7.119158   -5.008371    3.363497    24   167
   169  N     -2.628186   -3.176445    8.177077    24   170
   170  N     -1.599349   -3.617019    8.243984    24   169
   171  N     -0.050480    2.230137   -3.832058    24   172
   172  N      0.221737    2.471122   -4.892676    24   171
   173  N      6.114622    2.349545    3.748666    24   174
   174  N      6.240681    1.704565    4.657071    24   173
   175  N     -7.914248   -1.214802   -6.529376    24   176
   176  N     -8.806073   -0.544594   -6.641442    24   175
   177  N      1.678462    0.257970   -0.262671    24   178
   178  N      2.334695    0.521118    0.607502    24   177
   179  N      4.569771   -8.534475    8.555262    24   180
   180  N      5.094112   -7.543455    8.561299    24   179
   181  N      1.306508   -3.669787    1.123496    24   182
   182  N      1.395619   -3.032306    0.205472    24   181
   183  N      8.384302   -8.147236    2.466771    24   184
   184  N      8.724378   -9.176373    2.179868    24   183
   185  N      7.195728    6.216249    2.753333    24   186
   186  N      7.327379    5.618739    1.813791    24   185
   187  N      5.323970   -0.753867   -8.666535    24   188
   188  N      5.478620   -0.142850   -7.739264    24   187
   189  N      5.466382   -0.904513    2.866807    24   190
   190  N      5.356046   -1.862186    2.294287    24   189
   191  N     -0.204734    5.616296   -3.107813    24   192
   192  N     -1.166245    6.103436   -3.416490    24   191
   193  N      2.780573    6.621015    2.871740    24   194
   194  N      3.841819    6.320679    2.670138    24   193
   195  N      3.169799    1.619955    6.260439    24   196
   196  N      3.273267    1.339117    7.340953    24   195
   197  N     -3.149751   -1.449089    4.740004    24   198
   198  N     -2.342954   -2.226355    4.694983    24   197
   199  N      4.886693   -8.697286    2.009377    24   200
   200  N      4.885722   -7.644867    1.622722    24   199
   201  N     -5.204282   -1.151933   -8.707851    24   202
   202  N     -4.945135   -0.391651   -7.925608    24   201
   203  N     -0.854491    5.854158    1.615607    24   204
   204  N     -1.079344    4.931831    2.212134    24   203
   205  N      4.172180   -5.117700   -5.024936    24   206
   206  N      5.072035   -5.335816   -4.392656    24   205
   207  N     -8.383871    5.981932   -2.852130    24   208
   208  N     -8.230120    4.898450   -2.608170    24   207
   209  N     -5.345179    1.073578    6.435683    24   210
   210  N     -6.020488    1.386113    7.274354    24   209
   211  N     -0.389253    0.492395    6.070538    24   212
   212  N     -0.781580    1.425581    6.552547    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -9.358844    3.753048   -0.086087    24     2
     2  N     -8.453497    4.153839   -0.612207    24     1
     3  N      7.604021    1.489141   -2.705320    24     4
     4  N      8.500719    1.765113   -3.319211    24     3
     5  N     -3.363445   -4.733687    1.334448    24     6
     6  N     -4.370912   -4.243102    1.296681    24     5
     7  N     -8.114979   -9.014788   -4.961795    24     8
     8  N     -8.888872   -8.462063   -5.555660    24     7
     9  N      1.644841    2.705243   -8.409375    24    10
    10  N      0.557031    2.976794   -8.413681    24     9
    11  N     -3.752573    8.878304    7.021504    24    12
    12  N     -4.082439    8.248532    7.888489    24    11
    13  N      6.757985   -3.508034   -1.370524    24    14
    14  N      7.088705   -4.574304   -1.266683    24    13
    15  N     -3.712681    7.776527   -6.001833    24    16
    16  N     -2.650629    8.132447   -6.051388    24    15
    17  N     -5.865238   -4.820337   -9.112091    24    18
    18  N     -6.097495   -4.829586   -8.015250    24    17
    19  N      4.665115    6.240142   -8.964669    24    20
    20  N      4.501714    7.337820   -9.124331    24    19
    21  N     -4.582850    7.370954   -2.273130    24    22
    22  N     -3.494753    7.413596   -2.540182    24    21
    23  N      3.444686    9.027524   -3.078818    24    24
    24  N      3.406216    8.682377   -4.144878    24    23
    25  N     -1.116852   -1.023670   -7.262859    24    26
    26  N     -0.606371   -0.188645   -7.809879    24    25
    27  N      1.815321   -5.154501   -6.842256    24    28
    28  N      2.464792   -4.256951   -6.669976    24    27
    29  N      2.540558    2.175294    2.888867    24    30
    30  N      1.523692    2.123340    3.358304    24    29
    31  N      2.566955    4.347982   -0.610156    24    32
    32  N      2.276620    4.794850   -1.596617    24    31
    33  N      0.667680   -7.221752    1.568196    24    34
    34  N     -0.314322   -7.099041    1.041220    24    33
    35  N      8.329284   -1.330310    3.989719    24    36
    36  N      8.751604   -2.024339    4.762415    24    35
    37  N     -7.430692   -0.482312   -2.181129    24    38
    38  N     -7.214678   -0.989602   -1.204868    24    37
    39  N      3.576276    5.276219   -5.027869    24    40
    40  N      3.496349    5.782814   -6.024896    24    39
    41  N     -6.456380    6.572557   -7.778210    24    42
    42  N     -7.245555    6.550210   -6.982099    24    41
    43  N     -8.349707   -5.613678   -3.871225    24    44
    44  N     -8.851857   -4.726958   -3.403609    24    43
    45  N     -8.107063    3.015845   -6.271148    24    46
    46  N     -7.368730    2.197297   -6.066372    24    45
    47  N      7.174082    7.282737   -6.694530    24    48
    48  N      7.259363    7.262092   -5.576769    24    47
    49  N     -7.540988   -5.062359    4.583585    24    50
    50  N     -6.558300   -4.774528    4.126895    24    49
    51  N     -2.739978   -7.270482   -1.300353    24    52
    52  N     -3.546139   -7.210045   -0.523473    24    51
    53  N      7.244863   -7.521358   -2.870794    24    54
    54  N      7.620005   -7.931475   -1.897059    24    53
    55  N      5.094571   -0.728389    5.267577    24    56
    56  N      5.298839   -1.804868    5.505393    24    55
    57  N     -3.330998    5.020337    8.374168    24    58
    58  N     -3.181855    5.203304    9.470237    24    57
    59  N      0.104239   -0.240047   -4.357882    24    60
    60  N      0.209797   -0.556267   -3.287390    24    59
    61  N     -3.217774    7.516634    0.967798    24    62
    62  N     -2.525408    8.146157    1.585391    24    61
    63  N     -7.892330    3.454013    2.979854    24    64
    64  N     -7.663795    3.590755    4.068965    24    63
    65  N      8.494033   -5.363363    6.868837    24    66
    66  N      9.126670   -4.716730    7.531201    24    65
    67  N     -0.699900   -7.685637   -3.837331    24    68
    68  N      0.050530   -6.852619   -3.842550    24    67
    69  N     -5.439463    6.749997    4.347049    24    70
    70  N     -4.676845    6.069894    3.885571    24    69
    71  N      1.979278   -1.043993    4.587529    24    72
    72  N      0.877248   -0.868711    4.696602    24    71
    73  N      4.502504   -3.874322    9.167737    24    74
    74  N      5.578087   -4.046454    8.902060    24    73
    75  N     -4.478931    4.084069    0.209736    24    76
    76  N     -5.386533    3.661916    0.714845    24    75
    77  N     -9.228529    0.809059    0.761850    24    78
    78  N     -8.349194    0.540610    1.403561    24    77
    79  N      6.970304   -8.305436    4.427609    24    80
    80  N      6.029887   -7.696499    4.471195    24    79
    81  N     -1.809697   -1.040594   -0.043520    24    82
    82  N     -2.747196   -1.652045    0.022179    24    81
    83  N     -1.188587   -8.212353    5.068890    24    84
    84  N     -1.077896   -8.196691    3.953277    24    83
    85  N      2.703016   -5.857119   -2.450340    24    86
    86  N      2.284748   -6.177303   -1.460581    24    85
    87  N     -0.784271    4.753862    5.369792    24    88
    88  N     -0.673131    5.244648    4.367861    24    87
    89  N     -5.110317   -7.157677   -3.835923    24    90
    90  N     -5.242615   -6.892025   -4.917134    24    89
    91  N     -8.333038   -3.871433    0.175903    24    92
    92  N     -7.922314   -4.880078   -0.090611    24    91
    93  N      0.073729   -4.377097    5.087950    24    94
    94  N     -0.232798   -5.265008    4.475787    24    93
    95  N     -3.711198    3.970765   -4.689031    24    96
    96  N     -3.868763    3.492004   -3.687506    24    95
    97  N      5.594486    2.983014   -7.201071    24    98
    98  N      6.063631    2.205750   -7.858987    24    97
    99  N      1.388824   -3.132870    8.516843    24   100
   100  N      1.508008   -2.367440    7.706286    24    99
   101  N     -7.970116    7.582975    0.877401    24   102
   102  N     -7.344966    7.405273    1.791020    24   101
   103  N     -6.330160    5.657100    7.175121    24   104
   104  N     -7.449540    5.594568    7.188111    24   103
   105  N     -1.829398    2.333199   -1.115986    24   106
   106  N     -1.812364    1.505985   -1.872634    24   105
   107  N      3.284055   -5.978663    5.538615    24   108
   108  N      3.999848   -5.360772    6.141060    24   107
   109  N      6.347223    5.084327   -2.166520    24   110
   110  N      5.798167    6.061733   -2.149070    24   109
   111  N     -6.868240   -1.368248    7.541964    24   112
   112  N     -6.936641   -2.302703    6.926168    24   111
   113  N     -5.258925   -3.538515   -2.560425    24   114
   114  N     -4.824092   -4.504195   -2.192360    24   113
   115  N      2.279455    5.086370    6.218351    24   116
   116  N      3.294434    5.220799    6.675334    24   115
   117  N      2.242976    8.301051    5.964911    24   118
   118  N      1.859806    8.856358    5.069421    24   117
   119  N      7.519308    6.276179    6.185479    24   120
   120  N      7.536389    6.934536    7.092874    24   119
   121  N     -5.062738   -7.411955    2.294613    24   122
   122  N     -5.451267   -8.248091    1.656639    24   121
   123  N     -1.543915    0.923138    2.535920    24   124
   124  N     -2.512666    1.332193    2.924878    24   123
   125  N      6.036530   -2.544737   -5.835980    24   126
   126  N      5.892098   -1.919140   -4.916819    24   125
   127  N     -2.965701   -7.250560   -8.332074    24   128
   128  N     -2.660569   -6.269018   -7.884236    24   127
   129  N      9.151298   -5.068159   -7.279172    24   130
   130  N      8.663527   -4.222732   -6.727427    24   129
   131  N      3.552336   -1.722931   -1.957321    24   132
   132  N      3.688924   -2.795693   -1.661323    24   131
   133  N     -7.102665   -9.091475   -1.822903    24   134
   134  N     -7.306327   -8.065421   -1.419390    24   133
   135  N      0.374964    8.042282   -1.052567    24   136
   136  N      0.498637    7.881378    0.050114    24   135
   137  N      8.473941    2.365012    7.673754    24   138
   138  N      7.557388    2.874667    7.277177    24   137
   139  N     -1.892423   -3.730691   -5.399781    24   140
   140  N     -2.847946   -3.560438   -5.961103    24   139
   141  N     -7.962698   -8.874945    5.722991    24   142
   142  N     -7.966350   -8.315021    4.751620    24   141
   143  N     -5.585060   -0.650798    3.055968    24   144
   144  N     -6.509144   -0.740227    3.684586    24   143
   145  N     -3.756720   -4.993758    5.628132    24   146
   146  N     -3.699083   -5.671571    6.519388    24   145
   147  N     -3.618112   -0.630978   -3.877117    24   148
   148  N     -4.282342    0.271553   -3.913511    24   147
   149  N      4.347235    2.374743   -3.029206    24   150
   150  N      4.488888    1.362393   -3.489826    24   149
   151  N      7.089268   -1.055181    8.582955    24   152
   152  N      7.560798   -1.355549    9.554822    24   151
   153  N      2.037568    9.073419   -7.231019    24   154
   154  N      1.255404    9.187237   -6.435812    24   153
   155  N      5.765204    2.197003    0.846986    24   156
   156  N      5.186805    2.961172    0.265098    24   155
   157  N     -8.204237   -8.869513    9.309341    24   158
   158  N     -8.775554   -8.019732    8.852658    24   157
   159  N      0.154194    5.671548   -6.915742    24   160
   160  N     -0.310254    6.373781   -7.656179    24   159
   161  N      0.484704   -6.638697    8.067546    24   162
   162  N     -0.473366   -6.132792    7.779013    24   161
   163  N     -0.538799    8.355521    8.222082    24   164
   164  N     -0.656359    7.404118    7.640617    24   163
   165  N     -1.225630   -4.216644   -2.054840    24   166
   166  N     -0.305288   -3.786992   -2.529664    24   165
   167  N      6.753267   -4.399786    2.858440    24   168
   168  N      6.234648   -5.257376    2.355785    24   167
   169  N     -1.952653   -3.123812    8.359360    24   170
   170  N     -2.995639   -3.404906    8.659784    24   169
   171  N     -0.196650    2.901420   -4.759678    24   172
   172  N      0.906093    2.704812   -4.710784    24   171
   173  N      5.598470    3.381521    4.514960    24   174
   174  N      6.367704    2.636516    4.182795    24   173
   175  N     -8.958119   -1.633865   -4.733555    24   176
   176  N     -8.655969   -0.884361   -5.510755    24   175
   177  N      1.659600    1.037587   -0.463482    24   178
   178  N      1.930007    0.273435    0.311142    24   177
   179  N      6.359380   -8.052089    8.436491    24   180
   180  N      5.626599   -7.645211    9.181186    24   179
   181  N      0.536395   -3.455423    1.700058    24   182
   182  N      0.485616   -3.910290    0.676530    24   181
   183  N      8.125229   -7.702427    1.582255    24   184
   184  N      9.231937   -7.523379    1.597417    24   183
   185  N      6.659775    6.485761    2.355115    24   186
   186  N      7.623561    7.003507    2.109872    24   185
   187  N      2.625655   -0.272815   -7.652684    24   188
   188  N      2.803013   -0.078350   -6.562814    24   187
   189  N      4.512033   -2.209323    1.386448    24   190
   190  N      4.059087   -2.621975    2.325408    24   189
   191  N     -0.482335    6.501201   -3.856413    24   192
   192  N      0.627965    6.645687   -3.915145    24   191
   193  N      2.913563    6.114885    3.391401    24   194
   194  N      3.003347    6.017080    2.278089    24   193
   195  N      3.939324    1.733053    7.419746    24   196
   196  N      3.322661    1.792720    6.485266    24   195
   197  N     -2.076583   -2.291739    3.950766    24   198
   198  N     -2.764144   -1.659026    4.570463    24   197
   199  N      4.780491   -8.866887    1.436789    24   200
   200  N      4.320646   -8.768607    0.418962    24   199
   201  N     -5.164608   -0.080651   -7.503903    24   202
   202  N     -4.207110    0.486342   -7.366765    24   201
   203  N     -0.903844    4.794629    0.860329    24   204
   204  N     -0.984357    3.790275    1.352144    24   203
   205  N      5.531796   -6.998614   -5.849207    24   206
   206  N      5.413651   -5.886620   -5.767953    24   205
   207  N     -7.009916    5.510662   -3.898905    24   208
   208  N     -8.081478    5.833647   -3.966165    24   207
   209  N     -5.482428    1.502383    6.736076    24   210
   210  N     -4.951848    2.211131    7.424009    24   209
   211  N     -1.681190    1.563150    6.903367    24   212
   212  N     -0.573160    1.495593    7.060827    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -8.689051    3.717955    0.085439    24     2
     2  N     -8.471356    4.662965   -0.477281    24     1
     3  N      7.710907    1.823796   -2.249884    24     4
     4  N      7.916815    0.862192   -2.788409    24     3
     5  N     -1.602060   -4.893954    1.260167    24     6
     6  N     -2.561545   -5.430443    1.480755    24     5
     7  N     -8.395192   -8.416132   -4.440885    24     8
     8  N     -8.704864   -8.017165   -5.441893    24     7
     9  N      1.640664    2.832665   -8.245451    24    10
    10  N      0.882959    2.840414   -9.071836    24     9
    11  N     -4.482026    8.000735    7.787302    24    12
    12  N     -4.726837    8.827098    7.070169    24    11
    13  N      7.161102   -3.180971   -1.048080    24    14
    14  N      6.850162   -4.033073   -1.707115    24    13
    15  N     -2.717496    6.419364   -7.714640    24    16
    16  N     -2.467287    7.496312   -7.528447    24    15
    17  N     -5.533691   -7.593595   -8.070099    24    18
    18  N     -5.717624   -6.496854   -7.927209    24    17
    19  N      4.676996    4.715129   -8.218526    24    20
    20  N      4.210713    5.728904   -8.109304    24    19
    21  N     -4.164422    7.140770   -1.739483    24    22
    22  N     -4.874640    6.278759   -1.837538    24    21
    23  N      4.641737    8.585714   -2.250315    24    24
    24  N      5.018291    8.071426   -3.172706    24    23
    25  N     -2.800966    0.409215   -7.022373    24    26
    26  N     -1.777069    0.861233   -6.956015    24    25
    27  N      2.274773   -5.287996   -5.559569    24    28
    28  N      1.241579   -4.914836   -5.783958    24    27
    29  N      2.850648    2.797956    3.632678    24    30
    30  N      2.331996    3.196448    2.722023    24    29
    31  N      1.972548    4.648571   -1.402323    24    32
    32  N      2.106755    5.716746   -1.089146    24    31
    33  N      2.183330   -5.604157    2.232450    24    34
    34  N      1.831386   -6.364901    1.487807    24    33
    35  N      8.303012   -0.570227    4.812285    24    36
    36  N      9.389550   -0.339003    4.964138    24    35
    37  N     -7.375858   -0.087673   -1.506548    24    38
    38  N     -6.445093   -0.486817   -1.987641    24    37
    39  N      3.093040    4.714915   -4.574402    24    40
    40  N      3.104792    5.503811   -5.371016    24    39
    41  N     -6.392359    6.842576   -6.681429    24    42
    42  N     -7.358992    7.063819   -7.204651    24    41
    43  N     -7.213447   -4.643704   -4.205774    24    44
    44  N     -8.293536   -4.912395   -4.070487    24    43
    45  N     -8.886151    2.549958   -5.707814    24    46
    46  N     -7.934749    2.413628   -6.285169    24    45
    47  N      7.602944    7.615040   -5.826446    24    48
    48  N      6.808582    7.003146   -6.328108    24    47
    49  N     -7.611506   -4.536001    3.481676    24    50
    50  N     -6.777530   -4.090725    4.084421    24    49
    51  N     -2.669320   -7.918308   -0.924538    24    52
    52  N     -2.693321   -7.912209   -2.045465    24    51
    53  N      7.864180   -8.842301   -2.123377    24    54
    54  N      8.087379   -7.785222   -1.823617    24    53
    55  N      5.613514   -1.647532    6.614082    24    56
    56  N      6.470917   -2.286817    6.950630    24    55
    57  N     -3.758609    4.054615    8.460227    24    58
    58  N     -2.850556    3.654999    8.982563    24    57
    59  N     -0.894096   -1.396218   -3.082525    24    60
    60  N     -0.664329   -1.591052   -4.162496    24    59
    61  N     -2.537653    7.265087    2.841694    24    62
    62  N     -2.482577    7.404868    1.730605    24    61
    63  N     -8.253591    4.272434    4.241299    24    64
    64  N     -8.780022    4.455898    3.268518    24    63
    65  N      7.640933   -5.595836    6.396980    24    66
    66  N      8.729405   -5.511911    6.141493    24    65
    67  N     -0.784749   -7.717595   -5.436568    24    68
    68  N     -0.935164   -8.752264   -5.031690    24    67
    69  N     -4.590127    4.893896    4.680768    24    70
    70  N     -4.576935    5.681556    5.478583    24    69
    71  N      0.350498   -0.184069    4.727412    24    72
    72  N      0.589049   -0.957318    3.951352    24    71
    73  N      4.934647   -5.422150   -8.872483    24    74
    74  N      4.886951   -4.303049   -8.921775    24    73
    75  N     -5.150208    2.871535   -0.600124    24    76
    76  N     -4.384645    3.445315   -0.015507    24    75
    77  N      8.460190    1.232734    1.880374    24    78
    78  N      7.451799    1.429270    1.431362    24    77
    79  N      5.598113   -8.221993    5.366827    24    80
    80  N      6.550005   -8.391588    4.799177    24    79
    81  N     -3.229102   -0.583959    0.271850    24    82
    82  N     -2.795512   -1.561131   -0.066124    24    81
    83  N     -1.695263   -8.146877    3.608994    24    84
    84  N     -2.493739   -7.860707    4.342228    24    83
    85  N      4.372688   -6.172788   -1.988523    24    86
    86  N      3.384668   -5.693385   -2.214526    24    85
    87  N     -1.588161    3.620535    5.622166    24    88
    88  N     -0.546549    3.981418    5.417478    24    87
    89  N     -4.915228   -7.143906   -4.428138    24    90
    90  N     -4.061282   -7.713247   -4.879489    24    89
    91  N     -8.301394   -2.242085    1.514106    24    92
    92  N     -8.310336   -2.427996    0.408464    24    91
    93  N     -0.331189   -4.803706    5.591636    24    94
    94  N     -0.976366   -4.713137    4.679149    24    93
    95  N     -3.931095    4.105820   -5.968694    24    96
    96  N     -4.607065    3.619559   -6.719497    24    95
    97  N      4.705878    2.115050   -5.784397    24    98
    98  N      5.636594    1.526435   -5.573708    24    97
    99  N      2.331748   -1.796536    7.772137    24   100
   100  N      1.272858   -1.443798    7.878996    24    99
   101  N     -5.798662    6.024054    1.719726    24   102
   102  N     -6.495307    6.837211    1.387235    24   101
   103  N     -7.358391    6.035108    6.905567    24   104
   104  N     -7.528824    5.809546    7.990539    24   103
   105  N     -1.768869    2.212671   -2.476584    24   106
   106  N     -2.426644    2.731936   -3.221422    24   105
   107  N      3.749279   -4.367275    5.338209    24   108
   108  N      2.739432   -3.894398    5.455192    24   107
   109  N      6.607738    4.712015   -4.143236    24   110
   110  N      6.625616    5.059303   -3.077329    24   109
   111  N     -7.540377   -3.537542    8.373494    24   112
   112  N     -6.845688   -3.880600    7.563058    24   111
   113  N     -4.179557   -4.079689   -2.313972    24   114
   114  N     -4.766121   -4.395882   -1.412276    24   113
   115  N      2.701980    4.812738    6.655152    24   116
   116  N      2.392219    5.720591    6.074688    24   115
   117  N      1.934247   -8.389371    4.499916    24   118
   118  N      2.364012   -9.133187    5.220422    24   117
   119  N      7.488544    6.756748    6.908304    24   120
   120  N      6.386190    6.850923    6.726542    24   119
   121  N     -5.436726   -7.108301    2.354465    24   122
   122  N     -5.171368   -8.197596    2.343952    24   121
   123  N     -2.165988    1.360670    3.150583    24   124
   124  N     -2.502530    2.231882    2.530245    24   123
   125  N      7.193756   -2.634000   -4.830827    24   126
   126  N      6.639379   -2.840269   -5.783302    24   125
   127  N     -1.061180   -7.709166    8.841169    24   128
   128  N     -1.259314   -6.644478    9.131464    24   127
   129  N      7.963256   -5.982949   -8.221833    24   130
   130  N      8.775991   -5.569319   -7.569560    24   129
   131  N      4.093552   -2.562084   -3.760838    24   132
   132  N      3.217206   -2.439978   -3.072217    24   131
   133  N     -6.673670   -8.238452   -1.510389    24   134
   134  N     -7.200012   -7.264768   -1.689255    24   133
   135  N      0.220737   -9.350358    0.346540    24   136
   136  N      0.677503   -8.789701   -0.510267    24   135
   137  N      8.564070    3.056258    8.896549    24   138
   138  N      9.030514    2.099623    8.543888    24   137
   139  N     -2.688345   -3.177432   -6.366606    24   140
   140  N     -2.328204   -4.234674   -6.464728    24   139
   141  N     -7.202742    8.443697    4.456683    24   142
   142  N     -8.280159    8.245250    4.218189    24   141
   143  N     -6.257972    0.884206    1.661299    24   144
   144  N     -5.997971   -0.204963    1.717875    24   143
   145  N     -4.502261   -5.850219    6.826943    24   146
   146  N     -4.888123   -5.974629    5.781609    24   145
   147  N     -4.781709    0.478297   -4.581268    24   148
   148  N     -4.296564   -0.383430   -4.052922    24   147
   149  N      3.965248    0.592100   -2.326957    24   150
   150  N      3.670911    1.601071   -1.936530    24   149
   151  N      7.012351   -0.489801   -8.723133    24   152
   152  N      7.639300   -0.853372   -7.867659    24   151
   153  N      3.116910   -8.178311   -7.646829    24   154
   154  N      3.251589   -8.955366   -6.849873    24   153
   155  N      6.062862    4.522469    0.436571    24   156
   156  N      4.954043    4.656145    0.337867    24   155
   157  N     -8.681920   -8.970983    7.672042    24   158
   158  N     -8.173028   -8.336546    8.443798    24   157
   159  N      0.750625    7.550082   -6.986562    24   160
   160  N      0.917366    6.904234   -7.887766    24   159
   161  N      2.019004   -6.744708    7.599109    24   162
   162  N      1.839629   -5.854934    8.257300    24   161
   163  N     -0.474912    7.428317    6.492691    24   164
   164  N     -0.973254    7.448436    7.496852    24   163
   165  N     -0.951708   -4.946007   -2.750375    24   166
   166  N     -0.103725   -5.652573   -2.553457    24   165
   167  N      6.603864   -4.114691    2.462685    24   168
   168  N      6.806202   -4.150463    3.564895    24   167
   169  N     -1.960139   -3.075887    8.312669    24   170
   170  N     -2.764273   -2.320462    8.113191    24   169
   171  N      1.114247    2.235941   -4.794306    24   172
   172  N      0.845344    1.471057   -4.019883    24   171
   173  N      6.376412    3.666862    5.081481    24   174
   174  N      6.780896    2.665295    4.780910    24   173
   175  N     -7.971986   -1.189898   -5.794327    24   176
   176  N     -7.806261   -1.411306   -4.707772    24   175
   177  N      1.086853    1.786022   -0.079867    24   178
   178  N      0.043059    1.392629    0.033387    24   177
   179  N      6.683472   -9.364946   -8.830321    24   180
   180  N      5.955238   -8.565348   -8.534675    24   179
   181  N      0.681665   -2.367638   -0.636266    24   182
   182  N      0.914605   -3.295178   -0.051030    24   181
   183  N      8.903911   -6.894924    2.158713    24   184
   184  N      9.259145   -7.255459    1.158257    24   183
   185  N      7.291426    7.231395    2.049715    24   186
   186  N      6.581147    6.832427    2.820051    24   185
   187  N      2.583611   -1.074773   -6.329054    24   188
   188  N      1.566452   -0.980949   -6.791303    24   187
   189  N      4.346244   -1.136370    2.337296    24   190
   190  N      4.165182   -0.048631    2.134490    24   189
   191  N     -0.571018    6.724000   -2.986008    24   192
   192  N     -1.538644    6.424788   -3.466906    24   191
   193  N      2.866871    6.603466    2.453966    24   194
   194  N      3.575733    7.403084    2.114533    24   193
   195  N      4.543631    1.400744    9.183751    24   196
   196  N      4.101535    1.291259    8.159226    24   195
   197  N     -3.709459   -1.599485    3.444969    24   198
   198  N     -3.613797   -2.524909    4.070693    24   197
   199  N      5.935028   -8.220826    0.895457    24   200
   200  N      5.055748   -7.743192    1.401244    24   199
   201  N     -5.840601    0.940023   -8.559363    24   202
   202  N     -6.211165   -0.118144   -8.551926    24   201
   203  N     -1.397382    4.818082    0.034115    24   204
   204  N     -0.861360    4.878271    1.017043    24   203
   205  N      5.351145   -6.668204   -5.352709    24   206
   206  N      6.272957   -7.285156   -5.516183    24   205
   207  N     -8.661946    6.188725   -3.801275    24   208
   208  N     -7.775004    6.744518   -3.399385    24   207
   209  N     -6.561535    1.661633    6.494492    24   210
   210  N     -6.817114    2.073592    5.483523    24   209
   211  N     -3.397273    0.722112    6.777707    24   212
   212  N     -3.250696    0.810437    7.885769    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.491926    1.851150   -1.877409    24     2
     2  N     -6.795209    2.478197   -2.492621    24     1
     3  N      7.653310   -0.277018   -1.824164    24     4
     4  N      8.206749    0.222570   -2.661544    24     3
     5  N     -1.298037   -4.157812    1.400072    24     6
     6  N     -2.404840   -4.297170    1.287577    24     5
     7  N     -8.670499   -7.064962   -3.972699    24     8
     8  N     -9.371237   -7.937596   -4.040265    24     7
     9  N      0.370349    3.003233   -7.858134    24    10
    10  N      0.042329    3.808909   -8.565509    24     9
    11  N     -5.249711    8.686822    6.605612    24    12
    12  N     -4.451245    8.154456    7.185375    24    11
    13  N      5.101679   -3.662909   -1.406513    24    14
    14  N      5.646767   -4.609390   -1.659777    24    13
    15  N     -2.956457    7.919327   -7.353314    24    16
    16  N     -2.165733    7.446812   -7.992512    24    15
    17  N     -5.341188   -6.796156   -8.574073    24    18
    18  N     -6.187990   -6.275088   -8.055897    24    17
    19  N      5.011703    5.169157    8.573575    24    20
    20  N      5.607287    5.442425    9.483352    24    19
    21  N     -5.111391    6.600819   -2.409203    24    22
    22  N     -4.837400    6.747454   -3.486475    24    21
    23  N      3.354419    7.236192   -3.536428    24    24
    24  N      2.854499    8.116356   -4.018590    24    23
    25  N     -2.133365    1.389142   -7.023122    24    26
    26  N     -2.170405    0.269464   -7.068267    24    25
    27  N      0.644730   -4.831567   -6.204805    24    28
    28  N      1.284008   -3.933691   -6.410302    24    27
    29  N      2.859853    3.122822    3.171737    24    30
    30  N      2.904087    2.066058    2.799742    24    29
    31  N      2.156957    4.895427   -0.548531    24    32
    32  N      2.657842    5.684884    0.070307    24    31
    33  N      1.591812   -5.999252    1.960042    24    34
    34  N      1.928118   -5.478460    1.025824    24    33
    35  N      9.046541   -0.044436    4.637152    24    36
    36  N      8.249197   -0.538598    5.251266    24    35
    37  N     -6.041522   -1.607010    0.046270    24    38
    38  N     -6.340075   -0.851303    0.818839    24    37
    39  N      3.499626    3.945246   -6.167675    24    40
    40  N      2.703534    4.514195   -5.620295    24    39
    41  N     -6.697022    8.460734   -7.184599    24    42
    42  N     -7.036848    7.973584   -6.233656    24    41
    43  N     -9.132176   -3.943234   -2.196908    24    44
    44  N     -8.443700   -4.551444   -1.554123    24    43
    45  N     -8.638013    1.947194   -5.419735    24    46
    46  N     -7.987692    2.564931   -6.092471    24    45
    47  N      6.230203    7.712078   -5.547957    24    48
    48  N      6.827116    8.467475   -6.122551    24    47
    49  N     -7.644551   -3.389950    5.469795    24    50
    50  N     -7.926564   -4.394112    5.058437    24    49
    51  N     -3.420650   -7.638437    0.481140    24    52
    52  N     -2.515098   -8.205652    0.141534    24    51
    53  N      6.945061   -8.577589   -1.291025    24    54
    54  N      6.115063   -9.065893   -1.865265    24    53
    55  N      5.638138   -1.012986    6.593592    24    56
    56  N      6.075809   -1.867357    7.172888    24    55
    57  N     -3.281023    4.177372    8.155375    24    58
    58  N     -3.391895    3.522538    7.252054    24    57
    59  N     -0.257902   -0.814211   -4.164611    24    60
    60  N     -0.520469   -1.902882   -4.110358    24    59
    61  N     -2.038359    6.799277    2.764688    24    62
    62  N     -2.213369    6.922358    3.865285    24    61
    63  N      8.617017    4.797210    3.823588    24    64
    64  N      9.153332    4.264165    2.995748    24    63
    65  N      7.802703   -5.447326    7.569023    24    66
    66  N      8.892076   -5.183634    7.597704    24    65
    67  N     -0.679964   -8.284618   -5.051619    24    68
    68  N      0.299157   -8.332629   -5.595779    24    67
    69  N     -3.896551    4.322362    3.042266    24    70
    70  N     -4.853415    4.580135    3.566722    24    69
    71  N      1.360699   -0.779358    3.439561    24    72
    72  N      0.411650   -0.896695    2.854216    24    71
    73  N      3.873093   -3.328742   -8.611822    24    74
    74  N      4.838205   -2.882589   -8.256017    24    73
    75  N     -4.210506    2.836268    0.350537    24    76
    76  N     -4.169395    3.414844   -0.608967    24    75
    77  N      8.172413    1.774917    1.298660    24    78
    78  N      8.954740    1.072575    0.909085    24    77
    79  N      5.835243   -7.185334    5.835915    24    80
    80  N      5.003144   -6.435067    5.793502    24    79
    81  N     -2.684346   -1.389835   -0.900003    24    82
    82  N     -2.919071   -0.306497   -0.731555    24    81
    83  N     -1.739405   -7.496785    3.472886    24    84
    84  N     -0.828265   -7.957088    3.936603    24    83
    85  N      3.144512   -7.343787   -2.018053    24    86
    86  N      2.566835   -7.040281   -2.929788    24    85
    87  N     -0.196976    1.885318    5.761833    24    88
    88  N     -0.756566    2.091073    4.812300    24    87
    89  N     -4.849722   -8.179126   -4.647708    24    90
    90  N     -4.135552   -7.824720   -5.436028    24    89
    91  N      9.036415   -2.770979    1.525768    24    92
    92  N      8.504917   -2.100421    0.801234    24    91
    93  N     -0.392340   -3.191299    5.192782    24    94
    94  N     -0.872899   -4.160061    4.896720    24    93
    95  N     -4.220244    4.453761   -6.023612    24    96
    96  N     -5.038642    4.801609   -6.706485    24    95
    97  N      6.134421    0.769841   -6.572700    24    98
    98  N      5.544963    0.352932   -5.714903    24    97
    99  N      1.657016   -1.051604    6.456380    24   100
   100  N      1.975572   -1.493638    7.436287    24    99
   101  N     -5.184376    7.118406    0.981112    24   102
   102  N     -6.041274    6.414656    0.815124    24   101
   103  N     -6.160410    5.701657    8.358302    24   104
   104  N     -6.900114    6.408324    8.817160    24   103
   105  N     -2.672108    2.188819   -3.964238    24   106
   106  N     -1.955135    3.036140   -3.805855    24   105
   107  N      3.591809   -3.489698    4.757325    24   108
   108  N      3.038255   -4.322689    4.250577    24   107
   109  N      6.699094    3.839501   -4.694292    24   110
   110  N      6.277273    3.442857   -3.734173    24   109
   111  N     -6.019241   -2.193030   -9.326038    24   112
   112  N     -5.663335   -2.930520   -8.560187    24   111
   113  N     -5.513333   -4.375281   -2.618464    24   114
   114  N     -4.671427   -5.115389   -2.595530    24   113
   115  N      4.290235    5.768832    5.349685    24   116
   116  N      3.248843    5.798279    5.764079    24   115
   117  N      2.084915    9.523616    6.924578    24   118
   118  N      1.863853    8.490383    7.299612    24   117
   119  N      7.478510    6.022877    6.624259    24   120
   120  N      7.698977    7.050201    6.232990    24   119
   121  N     -5.528613   -7.600342    2.879186    24   122
   122  N     -4.813279   -8.401159    3.201800    24   121
   123  N     -2.988405    0.377756    3.149889    24   124
   124  N     -3.188071   -0.543552    2.542917    24   123
   125  N      7.397927   -2.112103   -4.890372    24   126
   126  N      7.416044   -3.232673   -4.857424    24   125
   127  N     -0.655965   -7.720393    8.804958    24   128
   128  N     -1.112156   -7.926101    7.801632    24   127
   129  N      8.872898   -5.453398   -7.000003    24   130
   130  N      9.068773   -4.429497   -7.412737    24   129
   131  N      3.299212   -1.913206   -4.704292    24   132
   132  N      3.318166   -2.420057   -3.704376    24   131
   133  N     -7.156567   -9.090719   -0.401215    24   134
   134  N     -7.946164   -8.491945   -0.925710    24   133
   135  N      0.703762    9.098423   -0.956452    24   136
   136  N     -0.086056    8.542738   -1.526092    24   135
   137  N      8.579952    3.436426    9.364688    24   138
   138  N      8.487343    2.652383    8.568579    24   137
   139  N     -3.528770   -4.811391   -6.666683    24   140
   140  N     -2.863984   -4.582918   -5.793213    24   139
   141  N     -7.804292    7.447751    4.812430    24   142
   142  N     -7.097804    7.725162    3.987198    24   141
   143  N     -6.280634    1.185409    3.420172    24   144
   144  N     -6.544362    1.911672    2.607720    24   143
   145  N     -4.677265   -5.763083    5.995766    24   146
   146  N     -4.558581   -5.173969    6.942311    24   145
   147  N     -3.842896   -1.264304   -4.175307    24   148
   148  N     -4.503715   -0.995239   -5.040184    24   147
   149  N      4.198069    0.783347   -0.494076    24   150
   150  N      5.171265    1.166743   -0.090360    24   149
   151  N      8.548157   -0.900083   -8.429427    24   152
   152  N      9.153915   -0.971386   -9.370204    24   151
   153  N      2.535943   -7.556706   -7.764909    24   154
   154  N      3.055526   -7.391214   -6.785247    24   153
   155  N      5.440104    4.372830    1.132919    24   156
   156  N      6.143761    4.291701    0.263795    24   155
   157  N     -8.221484   -7.778740    5.976670    24   158
   158  N     -7.901018   -7.803029    7.050820    24   157
   159  N      1.695193    7.176543   -7.927126    24   160
   160  N      2.139229    6.267774   -8.410926    24   159
   161  N      1.828328   -5.015567    7.412352    24   162
   162  N      1.472926   -5.389149    8.407950    24   161
   163  N     -0.709539    6.310193    7.255035    24   164
   164  N     -0.497935    5.910193    6.229211    24   163
   165  N     -0.909825   -4.699147   -2.094237    24   166
   166  N     -0.860330   -5.436780   -2.937170    24   165
   167  N      6.729962   -4.173702    3.712843    24   168
   168  N      7.253287   -4.006369    4.690195    24   167
   169  N     -1.616261   -3.396284    9.059096    24   170
   170  N     -1.477257   -4.492234    8.867628    24   169
   171  N      2.580588    1.565412   -3.875679    24   172
   172  N      1.950931    1.920100   -3.018465    24   171
   173  N      5.410451    2.143273    5.264109    24   174
   174  N      6.158464    2.977973    5.235084    24   173
   175  N     -7.653647   -1.389171   -6.204397    24   176
   176  N     -7.425644   -2.229479   -5.498006    24   175
   177  N      0.288718    1.020983   -0.229911    24   178
   178  N      0.647359    2.023495    0.121423    24   177
   179  N      6.123831    9.091492    8.895938    24   180
   180  N      5.255107    8.418214    8.674344    24   179
   181  N      2.354108   -2.387177   -0.201731    24   182
   182  N      1.580205   -2.156714   -0.979582    24   181
   183  N      9.348295   -7.509571    2.165978    24   184
   184  N      8.808593   -6.596795    1.801765    24   183
   185  N      6.839112    8.063662    3.144954    24   186
   186  N      7.350445    7.568616    2.278607    24   185
   187  N      2.188919   -0.362267   -7.521882    24   188
   188  N      1.269857   -0.249436   -6.889677    24   187
   189  N      6.039903   -0.675458    2.600378    24   190
   190  N      5.261384   -1.476849    2.506728    24   189
   191  N     -0.826466    5.990617   -4.636634    24   192
   192  N     -1.628251    6.657557   -4.225026    24   191
   193  N      1.834691    7.761382    2.987645    24   194
   194  N      2.640982    8.496212    3.246505    24   193
   195  N      3.720624    2.026761    8.378817    24   196
   196  N      4.780014    2.162265    8.720021    24   195
   197  N     -4.871269   -3.276427    2.874086    24   198
   198  N     -4.838786   -3.307889    3.994375    24   197
   199  N      4.903648   -5.972826    1.204534    24   200
   200  N      5.115576   -7.073010    1.246603    24   199
   201  N     -5.353645    1.069758   -8.640963    24   202
   202  N     -5.229745    1.999963   -8.027401    24   201
   203  N     -1.835771    5.710700   -1.043822    24   204
   204  N     -1.450981    5.268383   -0.088112    24   203
   205  N      5.971170   -6.669186   -5.972128    24   206
   206  N      5.680704   -6.300785   -4.953796    24   205
   207  N     -9.378074    6.601653   -1.721363    24   208
   208  N     -8.862455    5.641259   -1.983794    24   207
   209  N     -7.396629    3.381937    5.962674    24   210
   210  N     -7.153658    2.896317    6.943605    24   209
   211  N     -3.105710   -0.038367    6.440475    24   212
   212  N     -2.645991   -1.052986    6.568130    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.009043    2.030835   -2.509620    24     2
     2  N     -6.867680    1.653287   -1.463407    24     1
     3  N      7.773132    0.220844   -3.124709    24     4
     4  N      8.151039   -0.814837   -2.920646    24     3
     5  N     -1.723270   -3.189649    1.385198    24     6
     6  N     -2.352495   -4.111628    1.279749    24     5
     7  N      9.375478   -7.726549   -2.364545    24     8
     8  N      8.533200   -7.250216   -2.930904    24     7
     9  N      0.323608    3.440758   -8.539989    24    10
    10  N     -0.206345    3.453863   -7.552028    24     9
    11  N     -2.964993    8.558983    6.202523    24    12
    12  N     -2.095811    9.219429    6.458301    24    11
    13  N      5.408610   -3.013883   -0.877841    24    14
    14  N      4.374342   -2.951936   -0.449424    24    13
    15  N     -3.570681    7.615833   -8.474197    24    16
    16  N     -2.499018    7.745896   -8.777034    24    15
    17  N     -6.254500   -8.507621    8.438856    24    18
    18  N     -6.297181   -8.600564    9.555382    24    17
    19  N      4.606608    5.496326    8.556631    24    20
    20  N      5.720751    5.524834    8.434309    24    19
    21  N     -4.968566    4.770811   -2.858620    24    22
    22  N     -5.530757    5.740081   -2.819305    24    21
    23  N      3.521749    7.604455   -4.310913    24    24
    24  N      3.972599    8.622997   -4.438964    24    23
    25  N     -1.230249    0.272108   -8.060576    24    26
    26  N     -2.315356    0.551125   -8.018384    24    25
    27  N      1.030651   -3.756325   -6.649077    24    28
    28  N      0.257075   -3.218065   -7.256485    24    27
    29  N      2.988382    2.303245    4.282591    24    30
    30  N      3.162751    1.998320    3.217836    24    29
    31  N      2.788313    5.280242   -1.541405    24    32
    32  N      2.381876    4.523380   -0.820949    24    31
    33  N     -0.083001   -6.499823    0.650473    24    34
    34  N      0.365226   -7.455732    0.273089    24    33
    35  N      8.024795    0.139213    5.771708    24    36
    36  N      7.438550   -0.282976    4.914292    24    35
    37  N     -6.635160   -1.754244   -0.673442    24    38
    38  N     -5.893387   -2.494418   -0.274689    24    37
    39  N      4.288109    4.287745   -6.611887    24    40
    40  N      3.645429    3.713495   -5.894747    24    39
    41  N     -7.451368    8.271363   -5.702890    24    42
    42  N     -6.720369    7.464084   -5.436372    24    41
    43  N      9.045171   -3.623377   -0.828416    24    44
    44  N      8.711795   -4.022878   -1.821568    24    43
    45  N     -9.208250    3.256702   -5.100605    24    46
    46  N     -8.743088    4.195361   -5.500147    24    45
    47  N      7.145093    6.187441   -5.807819    24    48
    48  N      6.372522    6.985611   -5.959961    24    47
    49  N     -8.116224   -3.250247    6.999968    24    50
    50  N     -7.824317   -4.244668    6.572177    24    49
    51  N     -2.870523   -7.516577   -1.085756    24    52
    52  N     -3.400512   -7.962839   -0.204251    24    51
    53  N      5.642838    9.417584   -1.020804    24    54
    54  N      6.396070    8.690434   -1.422032    24    53
    55  N      3.773250   -1.638929    5.302934    24    56
    56  N      4.316513   -1.683053    6.282734    24    55
    57  N     -2.400743    3.663966    7.861435    24    58
    58  N     -2.900457    3.753622    8.861103    24    57
    59  N     -0.255752   -0.344606   -4.861580    24    60
    60  N     -0.655740   -1.026235   -4.066294    24    59
    61  N     -1.992081    8.070207    1.728160    24    62
    62  N     -2.117501    7.190567    2.411969    24    61
    63  N     -8.760199    4.787567    2.663635    24    64
    64  N     -7.778523    4.300264    2.900148    24    63
    65  N      7.514263   -5.238703   -9.244051    24    66
    66  N      6.649659   -5.550452   -8.601897    24    65
    67  N     -0.707809   -8.747246   -3.915570    24    68
    68  N     -0.015140   -8.336300   -4.695586    24    67
    69  N     -3.807855    3.612818    4.432957    24    70
    70  N     -3.154359    3.301906    3.576588    24    69
    71  N      1.485960   -0.947178    2.266573    24    72
    72  N      1.277304   -1.364551    3.286060    24    71
    73  N      4.333606   -2.638026   -7.951108    24    74
    74  N      3.793455   -2.938127   -8.886665    24    73
    75  N     -3.680925    2.347592   -0.312196    24    76
    76  N     -3.277502    3.369476   -0.536006    24    75
    77  N      7.814226    0.625080    0.053611    24    78
    78  N      8.577469    0.939217    0.812471    24    77
    79  N      5.505532   -8.084656    5.065902    24    80
    80  N      4.972278   -7.121090    4.855501    24    79
    81  N     -2.372473   -0.793548   -1.315966    24    82
    82  N     -2.643082   -1.837391   -1.622974    24    81
    83  N      0.340920   -6.776478    5.056394    24    84
    84  N     -0.465693   -7.174496    4.387031    24    83
    85  N      1.834182   -5.822995   -3.366886    24    86
    86  N      2.855366   -5.889139   -2.908741    24    85
    87  N      0.009673    2.365039    5.001623    24    88
    88  N      0.215972    2.916162    5.955979    24    87
    89  N     -4.023398    9.311008   -4.994903    24    90
    90  N     -3.831718    8.388824   -4.386688    24    89
    91  N     -8.590343   -2.373161    2.732186    24    92
    92  N     -8.622084   -2.657968    3.816144    24    91
    93  N     -1.038207   -3.903473    4.465018    24    94
    94  N     -1.502712   -3.649256    5.453298    24    93
    95  N     -4.542214    3.897310   -6.252858    24    96
    96  N     -4.407443    4.895822   -6.744693    24    95
    97  N      5.783728    0.825670   -6.586969    24    98
    98  N      5.512462    0.541485   -7.637085    24    97
    99  N      0.670526   -0.529304    7.321954    24   100
   100  N      0.056100   -0.824651    6.431819    24    99
   101  N     -5.021928    6.660489    1.740987    24   102
   102  N     -5.012403    5.625316    1.310389    24   101
   103  N     -6.019096    5.083771    8.548590    24   104
   104  N     -6.433811    6.007828    9.029444    24   103
   105  N     -2.060714    3.471523   -4.397360    24   106
   106  N     -1.868534    2.693824   -3.612924    24   105
   107  N      3.690652   -4.883376    3.043092    24   108
   108  N      2.621891   -5.116859    2.797480    24   107
   109  N      5.592146    4.432116   -3.025660    24   110
   110  N      5.349704    3.371148   -2.756109    24   109
   111  N     -6.430016   -2.469382   -8.282410    24   112
   112  N     -5.940028   -1.667356   -7.671055    24   111
   113  N     -5.897389   -5.848456   -2.549320    24   114
   114  N     -5.725802   -6.391565   -3.515074    24   113
   115  N      3.791326    7.229537    5.447897    24   116
   116  N      3.756257    6.112697    5.355562    24   115
   117  N      2.756307   -8.042118    7.347584    24   118
   118  N      1.841756   -8.690600    7.360108    24   117
   119  N      8.298885    6.836318    6.314086    24   120
   120  N      9.160778    7.118017    6.973538    24   119
   121  N     -5.038871   -8.449796    3.033875    24   122
   122  N     -4.731511   -7.803291    3.896807    24   121
   123  N     -2.918025   -0.011617    2.625129    24   124
   124  N     -1.811979    0.125578    2.747320    24   123
   125  N      6.986291   -2.789317   -5.759055    24   126
   126  N      7.452367   -3.768743   -6.042933    24   125
   127  N     -1.025961   -7.271563   -7.999844    24   128
   128  N     -1.169289   -6.731865   -8.972095    24   127
   129  N     -9.078138   -6.973649   -6.559814    24   130
   130  N     -8.242497   -6.649374   -5.886287    24   129
   131  N      4.190398   -1.653590   -3.643923    24   132
   132  N      3.314815   -2.033726   -4.232090    24   131
   133  N     -6.615590    9.338813   -0.184164    24   134
   134  N     -5.988405    8.881899   -0.993459    24   133
   135  N      2.208367    8.927545   -1.479854    24   136
   136  N      1.900079    8.294613   -0.607246    24   135
   137  N      8.227386    3.478690    9.056672    24   138
   138  N      9.123455    3.885066    8.519077    24   137
   139  N     -2.677894   -4.515663   -6.377552    24   140
   140  N     -3.442270   -3.695408   -6.376301    24   139
   141  N     -6.099908    7.685229    5.403422    24   142
   142  N     -5.616048    6.673817    5.399662    24   141
   143  N     -6.309112    0.465942    2.189180    24   144
   144  N     -5.986967    1.464353    2.584766    24   143
   145  N     -3.646150   -6.125695    6.842928    24   146
   146  N     -4.667041   -5.871811    7.230762    24   145
   147  N     -4.641226   -0.108771   -5.563358    24   148
   148  N     -5.234668    0.823142   -5.372427    24   147
   149  N      4.071173    0.933101   -0.590414    24   150
   150  N      4.408408    1.878904   -0.091597    24   149
   151  N      8.035667   -1.369580   -9.231048    24   152
   152  N      8.990286   -1.223343   -8.661483    24   151
   153  N      2.552771   -7.578777   -7.163303    24   154
   154  N      3.026824   -6.598580   -7.430843    24   153
   155  N      5.484319    5.694917    0.640838    24   156
   156  N      5.019105    5.320509    1.589777    24   155
   157  N      8.881070   -7.559161    6.090212    24   158
   158  N      8.149162   -7.769656    6.913068    24   157
   159  N      1.305652    6.730510   -8.073588    24   160
   160  N      2.054876    7.514666   -8.357936    24   159
   161  N      1.393835   -5.128360    7.643795    24   162
   162  N      1.102709   -4.077123    7.384502    24   161
   163  N      0.090772    6.612106    6.706715    24   164
   164  N      0.309538    6.683830    5.609406    24   163
   165  N     -2.192903   -4.709677   -2.880734    24   166
   166  N     -1.183466   -4.810842   -2.403357    24   165
   167  N      6.954550   -4.719671    4.282640    24   168
   168  N      6.978085   -4.150339    5.248246    24   167
   169  N     -1.916634   -3.519947    8.491883    24   170
   170  N     -2.590506   -2.654131    8.722853    24   169
   171  N      1.239121    2.378762   -3.174565    24   172
   172  N      2.118737    1.755469   -3.482574    24   171
   173  N      5.667819    3.755180    5.702541    24   174
   174  N      6.569688    3.186933    5.354957    24   173
   175  N     -6.855047   -2.539800   -3.929292    24   176
   176  N     -7.685131   -2.952697   -4.559821    24   175
   177  N     -0.291259    2.196315    0.436845    24   178
   178  N      0.708083    1.773296    0.718729    24   177
   179  N      6.623832   -8.924124   -8.021352    24   180
   180  N      5.853875   -9.257006   -8.765291    24   179
   181  N      0.883281   -2.610211   -1.408385    24   182
   182  N      1.267537   -3.357674   -0.666267    24   181
   183  N     -8.497410   -6.364059    2.590171    24   184
   184  N     -8.691222   -6.831791    1.589794    24   183
   185  N      8.442186    7.848344    2.999147    24   186
   186  N      7.331197    7.997261    3.023977    24   185
   187  N      1.964185   -0.395606   -7.437460    24   188
   188  N      2.189332    0.700760   -7.371282    24   187
   189  N      5.564794   -1.987559    2.501218    24   190
   190  N      5.199698   -0.932735    2.395667    24   189
   191  N     -0.265667    6.036597   -5.100883    24   192
   192  N     -0.987219    6.496387   -5.825484    24   191
   193  N      1.456258    8.793632    3.112256    24   194
   194  N      2.498662    8.700833    2.709923    24   193
   195  N      3.473095    2.001814    8.035117    24   196
   196  N      3.522068    1.528118    7.020080    24   195
   197  N     -5.538194   -4.869077    2.703881    24   198
   198  N     -5.295310   -3.864604    3.138775    24   197
   199  N      6.198497   -5.811397    0.978417    24   200
   200  N      6.608180   -6.828759    1.211278    24   199
   201  N     -6.861938    0.789380   -9.310074    24   202
   202  N     -7.040164    1.488967   -8.452225    24   201
   203  N     -2.351153    6.993644   -1.418022    24   204
   204  N     -1.393563    6.413573   -1.478256    24   203
   205  N      5.602333   -6.152797   -5.219826    24   206
   206  N      5.918475   -7.037218   -4.607500    24   205
   207  N     -9.017436    5.020660   -0.567624    24   208
   208  N     -7.902041    4.912074   -0.602147    24   207
   209  N     -7.415529    3.573752    5.779267    24   210
   210  N     -6.674686    2.899350    6.282678    24   209
   211  N     -3.171612    0.628240    6.023571    24   212
   212  N     -4.257481    0.351305    6.059418    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.103011    2.745306   -0.636709    24     2
     2  N     -7.143548    3.147930   -0.747461    24     1
     3  N      7.679000    0.186574   -2.607900    24     4
     4  N      8.739513    0.094654   -2.255831    24     3
     5  N     -3.246561   -2.847097    1.055822    24     6
     6  N     -3.553054   -2.851511   -0.022664    24     5
     7  N      8.868550    9.513742   -1.352833    24     8
     8  N      8.962230    8.737534   -0.549208    24     7
     9  N      0.063264    3.744671   -8.896633    24    10
    10  N     -0.253287    4.068169   -7.870848    24     9
    11  N     -1.954457   -9.172347    7.296704    24    12
    12  N     -1.530667   -8.670193    6.388227    24    11
    13  N      6.748071   -2.678574   -1.415844    24    14
    14  N      5.999667   -3.109425   -2.130930    24    13
    15  N     -2.995218    7.430186   -8.353560    24    16
    16  N     -1.979057    7.105750   -8.698879    24    15
    17  N     -7.365909   -9.424127    9.268525    24    18
    18  N     -6.653020   -8.601891    8.998698    24    17
    19  N      4.268116    6.401204    8.219884    24    20
    20  N      5.046183    5.762724    8.713893    24    19
    21  N     -4.024453    5.523264   -2.655948    24    22
    22  N     -4.087986    4.419299   -2.841187    24    21
    23  N      3.256807    7.516143   -5.073530    24    24
    24  N      2.969252    8.534098   -4.701818    24    23
    25  N     -1.338822    0.967141   -6.527217    24    26
    26  N     -2.084910    1.232936   -7.320813    24    25
    27  N      0.097784   -3.812748   -6.760548    24    28
    28  N      0.050406   -3.159676   -7.670680    24    27
    29  N      3.703604    2.122990    2.432355    24    30
    30  N      4.042009    3.184063    2.303147    24    29
    31  N      2.166680    5.946621   -2.151923    24    32
    32  N      2.728753    4.978922   -2.220639    24    31
    33  N     -0.473763   -4.894454    0.134875    24    34
    34  N      0.198543   -5.774734    0.308662    24    33
    35  N     -7.987336    0.080608    4.921266    24    36
    36  N     -8.713527    0.564360    5.625340    24    35
    37  N     -7.287416   -1.591643   -0.455549    24    38
    38  N     -6.844742   -2.597929   -0.235282    24    37
    39  N      2.815560    4.383577   -7.075814    24    40
    40  N      3.831000    4.539871   -6.626879    24    39
    41  N     -8.090416    7.957874   -5.720553    24    42
    42  N     -7.126284    7.434777   -5.488371    24    41
    43  N     -8.951147   -5.453854   -1.352016    24    44
    44  N     -9.292729   -5.116247   -2.365147    24    43
    45  N     -8.976775    2.844049   -5.247626    24    46
    46  N     -8.734863    1.776540   -5.004739    24    45
    47  N      6.657765    6.923304   -6.493418    24    48
    48  N      7.213019    6.752209   -5.534509    24    47
    49  N     -8.226550   -3.210000    6.215839    24    50
    50  N     -8.427539   -4.311226    6.152651    24    49
    51  N     -3.982863   -7.611022    0.198903    24    52
    52  N     -3.230864   -6.788405    0.076890    24    51
    53  N      5.224194    8.476948   -2.195690    24    54
    54  N      4.699551    7.899304   -1.390602    24    53
    55  N      2.958346   -0.530187    6.805858    24    56
    56  N      4.070137   -0.546834    6.661871    24    55
    57  N     -3.520776    2.810617    8.080008    24    58
    58  N     -3.574369    3.929344    8.131641    24    57
    59  N     -1.048129   -1.491664   -4.605926    24    60
    60  N     -1.441799   -0.681663   -3.938086    24    59
    61  N      0.763824    5.793760    3.267247    24    62
    62  N      1.144547    6.485610    2.471329    24    61
    63  N      9.228516    4.267736    3.485931    24    64
    64  N      8.897755    4.464631    2.432879    24    63
    65  N      8.073577   -5.428743    9.119479    24    66
    66  N      7.097665   -5.509453    8.573429    24    65
    67  N      0.193706   -7.096952   -4.010176    24    68
    68  N     -0.356555   -7.730411   -4.753838    24    67
    69  N     -2.213287    5.243814    4.324636    24    70
    70  N     -2.278417    4.478062    5.141013    24    69
    71  N      1.138233   -1.585833    3.729377    24    72
    72  N      1.656034   -0.607821    3.549195    24    71
    73  N      4.555511   -2.812848   -8.885705    24    74
    74  N      4.330817   -3.613764   -8.133949    24    73
    75  N     -2.924584    3.183367    1.180509    24    76
    76  N     -2.432401    3.218069    0.173712    24    75
    77  N      7.130378    0.932888    1.793028    24    78
    78  N      7.543917    1.772618    1.175834    24    77
    79  N      5.880977   -9.430133    4.869374    24    80
    80  N      6.053729   -8.328880    4.989741    24    79
    81  N     -3.547356    0.900121   -1.345323    24    82
    82  N     -4.208079   -0.002241   -1.424560    24    81
    83  N     -0.448671   -7.411068    3.481387    24    84
    84  N     -1.476904   -7.092729    3.167563    24    83
    85  N      4.072268   -6.349454   -3.422457    24    86
    86  N      3.726136   -6.163612   -2.372340    24    85
    87  N      1.644303    3.244301    4.970422    24    88
    88  N      1.048749    2.330489    5.229946    24    87
    89  N     -3.234220    9.088636   -5.439800    24    90
    90  N     -3.988498    8.414120   -4.956910    24    89
    91  N      8.345194   -2.318040    3.237772    24    92
    92  N      9.338658   -2.291893    2.718702    24    91
    93  N     -1.825009   -3.927072    4.182238    24    94
    94  N     -2.027786   -2.840039    4.367524    24    93
    95  N     -4.560625    3.934536   -6.661457    24    96
    96  N     -3.664526    4.588866   -6.500369    24    95
    97  N      6.025978   -0.387506   -6.032944    24    98
    98  N      5.306432    0.343852   -6.485114    24    97
    99  N     -0.341456    0.467350    7.981378    24   100
   100  N     -0.589783   -0.468576    7.416165    24    99
   101  N     -5.146270    5.837566    1.263867    24   102
   102  N     -6.035615    5.931412    1.940143    24   101
   103  N     -7.100097    4.689871   -9.261786    24   104
   104  N     -6.462179    5.364729   -8.633521    24   103
   105  N     -0.776727    3.341234   -2.734624    24   106
   106  N     -1.229294    2.690631   -3.527711    24   105
   107  N      2.269590   -5.518674    3.008550    24   108
   108  N      3.322051   -5.517639    3.395089    24   107
   109  N      5.802060    3.028769   -4.390300    24   110
   110  N      5.532151    3.971205   -3.846193    24   109
   111  N     -6.557191   -4.279437   -8.059046    24   112
   112  N     -7.491408   -3.701594   -8.283599    24   111
   113  N     -5.458148   -7.022926   -2.592204    24   114
   114  N     -6.503953   -7.114643   -2.985867    24   113
   115  N      4.651044    5.766712    4.425166    24   116
   116  N      3.818993    6.126723    5.084842    24   115
   117  N      2.645057   -8.660868    7.703593    24   118
   118  N      3.080147   -8.796855    6.679242    24   117
   119  N      8.446800    6.551445    5.691449    24   120
   120  N      7.420412    6.424388    6.124434    24   119
   121  N     -4.574559   -8.871316    3.809927    24   122
   122  N     -5.256988   -7.987025    3.712910    24   121
   123  N     -1.922846    0.070827    2.838806    24   124
   124  N     -2.878063    0.001442    2.255851    24   123
   125  N      7.002590   -3.643543   -5.231483    24   126
   126  N      6.675384   -3.609765   -6.303344    24   125
   127  N     -2.632760   -7.246980   -7.971423    24   128
   128  N     -1.518717   -7.142484   -8.042681    24   127
   129  N     -8.326510   -6.095349   -5.893715    24   130
   130  N     -8.248444   -7.090823   -6.403641    24   129
   131  N      3.258671   -2.958649   -3.843658    24   132
   132  N      2.952136   -3.660797   -4.662262    24   131
   133  N     -5.543096    7.954346   -1.446184    24   134
   134  N     -6.411254    7.709715   -2.112176    24   133
   135  N      1.288921   -8.594872   -1.413237    24   136
   136  N      1.850840   -8.843288   -0.475353    24   135
   137  N      7.332864    3.605595   -8.213803    24   138
   138  N      7.705260    2.571140   -8.433609    24   137
   139  N     -4.305764   -4.803170   -5.784323    24   140
   140  N     -3.503422   -4.149914   -6.216290    24   139
   141  N     -5.897821    7.599692    6.450586    24   142
   142  N     -5.135788    6.777670    6.476557    24   141
   143  N     -6.012406    0.306546    2.367114    24   144
   144  N     -6.608607    1.252209    2.281349    24   143
   145  N     -5.184941   -5.433835    6.937442    24   146
   146  N     -4.208984   -5.953945    7.122060    24   145
   147  N     -5.408058    1.078024   -4.918075    24   148
   148  N     -4.611147    0.296274   -5.022424    24   147
   149  N      4.105109    0.151125   -0.185440    24   150
   150  N      4.192985   -0.958227   -0.048669    24   149
   151  N      8.118679   -1.323249   -8.647221    24   152
   152  N      8.657328   -0.661872   -7.919537    24   151
   153  N      3.571090   -6.979182   -7.389500    24   154
   154  N      2.552141   -6.749848   -6.981777    24   153
   155  N      6.403516    6.211986    1.127568    24   156
   156  N      6.496608    7.327453    1.192051    24   155
   157  N     -8.210867   -8.071416    5.972990    24   158
   158  N     -9.238941   -7.688049    6.203604    24   157
   159  N      0.264602    8.453927   -7.456797    24   160
   160  N      1.352581    8.370347   -7.714493    24   159
   161  N      0.845312   -5.827589    6.904289    24   162
   162  N     -0.069408   -5.796788    7.551920    24   161
   163  N     -0.058014    6.513627    6.969839    24   164
   164  N      0.657950    6.739988    7.802453    24   163
   165  N     -2.531529   -5.243339   -2.687654    24   166
   166  N     -2.050705   -4.246025   -2.864461    24   165
   167  N      6.752620   -4.916598    4.036388    24   168
   168  N      6.334062   -4.575443    5.018992    24   167
   169  N     -3.354699   -2.475728    8.610808    24   170
   170  N     -3.536537   -1.624798    9.317874    24   169
   171  N      2.407550    1.513934   -4.174763    24   172
   172  N      2.349782    2.542067   -4.618266    24   171
   173  N      5.790790    3.093438    5.726356    24   174
   174  N      6.504467    2.981745    4.868873    24   173
   175  N     -7.235038   -2.736101   -3.881744    24   176
   176  N     -7.175616   -2.950249   -4.980698    24   175
   177  N      1.253474    1.923756   -0.495668    24   178
   178  N      0.523888    1.401213    0.176449    24   177
   179  N      7.603233    9.070180    8.392118    24   180
   180  N      6.557066    8.746611    8.632797    24   179
   181  N      1.144938   -1.883375   -0.807693    24   182
   182  N      0.393911   -2.195630   -1.579410    24   181
   183  N     -7.926573   -5.814903    2.051490    24   184
   184  N     -7.463188   -6.338609    1.175080    24   183
   185  N     -8.763699    7.675555    2.819651    24   186
   186  N     -8.873405    8.728308    3.189468    24   185
   187  N      2.256378   -0.638795   -7.719809    24   188
   188  N      1.890153    0.322464   -7.273772    24   187
   189  N      4.958780   -0.755587    3.429336    24   190
   190  N      4.926780   -1.876325    3.425927    24   189
   191  N     -0.939353    7.036806   -4.866752    24   192
   192  N     -1.555346    6.193074   -4.459619    24   191
   193  N      4.307368   -8.836698    1.945747    24   194
   194  N      4.068629   -8.038413    1.195524    24   193
   195  N      3.641997    2.171832    8.460082    24   196
   196  N      2.817614    2.714539    7.928152    24   195
   197  N     -5.477033   -2.524159    4.412867    24   198
   198  N     -5.536664   -2.629327    3.298203    24   197
   199  N      6.782065   -6.038206    1.093451    24   200
   200  N      6.014346   -5.254888    0.860839    24   199
   201  N     -6.766565    1.151292    8.359830    24   202
   202  N     -6.805943    0.090510    8.720777    24   201
   203  N     -1.990079    8.353522   -1.737193    24   204
   204  N     -1.764945    7.464819   -1.091739    24   203
   205  N      7.005255   -8.344237   -4.594931    24   206
   206  N      6.439437   -7.819876   -5.408555    24   205
   207  N      8.472592    4.394836   -2.415445    24   208
   208  N      8.589320    5.325885   -1.801760    24   207
   209  N     -6.740720    3.309685    5.414279    24   210
   210  N     -6.061650    4.112932    5.026016    24   209
   211  N     -4.191498   -0.053562    6.439090    24   212
   212  N     -4.321934    0.743840    5.661770    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.481173    3.330502    0.042802    24     2
     2  N     -6.430141    3.625819   -0.212556    24     1
     3  N     -8.711198    0.486085   -2.631632    24     4
     4  N     -9.554064    1.148957   -2.304116    24     3
     5  N     -3.560793   -3.677979   -0.848690    24     6
     6  N     -4.391938   -3.633780   -1.599911    24     5
     7  N      8.465457   -9.223096   -1.555938    24     8
     8  N      8.448234   -8.873199   -0.490872    24     7
     9  N     -0.363146    4.325806   -8.327999    24    10
    10  N     -1.223143    4.964978   -8.658080    24     9
    11  N     -2.654417   -8.591972    6.973001    24    12
    12  N     -1.591588   -8.947134    7.009646    24    11
    13  N      5.454634   -2.381299   -1.407548    24    14
    14  N      4.823265   -2.834981   -2.215407    24    13
    15  N     -3.597908    7.276050   -7.609347    24    16
    16  N     -3.696205    7.586987   -8.682075    24    15
    17  N     -6.136330   -8.740573   -8.576346    24    18
    18  N     -7.037191   -8.080834   -8.677755    24    17
    19  N      5.127186    7.163335    8.697073    24    20
    20  N      4.836188    6.381280    7.948207    24    19
    21  N     -3.827416    4.683511   -2.579759    24    22
    22  N     -4.448399    5.569361   -2.285244    24    21
    23  N      3.899829    8.959326   -4.618378    24    24
    24  N      3.097075    8.240789   -4.307926    24    23
    25  N     -2.821654    0.482707   -6.866141    24    26
    26  N     -1.740613    0.467470   -7.163138    24    25
    27  N     -0.737438   -3.834559   -6.755992    24    28
    28  N     -0.059389   -3.354783   -7.509087    24    27
    29  N      3.295868    3.302345    1.710357    24    30
    30  N      4.145515    3.854101    1.229989    24    29
    31  N      1.970884    4.883825   -3.076516    24    32
    32  N      2.768676    4.482271   -3.754287    24    31
    33  N     -0.323335   -5.423270    0.268535    24    34
    34  N      0.352049   -6.054349    0.903110    24    33
    35  N     -9.532168    1.171620    6.413982    24    36
    36  N     -8.684102    1.891710    6.274901    24    35
    37  N     -8.864024   -2.301571   -0.193640    24    38
    38  N     -7.986735   -2.997589   -0.138736    24    37
    39  N      3.345899    5.366216   -7.345989    24    40
    40  N      3.361207    6.412230   -6.942616    24    39
    41  N     -7.055467    7.957272   -5.709073    24    42
    42  N     -6.984805    7.157833   -4.926134    24    41
    43  N      8.061478   -5.546631   -3.174844    24    44
    44  N      8.231415   -4.501741   -2.805498    24    43
    45  N      8.627835    2.596960   -5.799757    24    46
    46  N      8.517218    1.550582   -6.186987    24    45
    47  N      7.642214    5.981053   -5.541504    24    48
    48  N      6.651011    5.638349   -5.937938    24    47
    49  N     -9.364761   -2.646716    6.082444    24    50
    50  N     -8.491222   -2.000591    6.359106    24    49
    51  N     -2.736155   -7.505083    0.680652    24    52
    52  N     -3.526156   -7.773461   -0.068322    24    51
    53  N      5.530519    7.228748   -2.088328    24    54
    54  N      5.247754    6.146485   -2.164750    24    53
    55  N      2.117868   -0.441352    7.233658    24    56
    56  N      3.008236   -0.653119    6.585979    24    55
    57  N     -4.001202    3.291999    9.097268    24    58
    58  N     -4.932079    3.916945    9.097244    24    57
    59  N     -0.814423   -1.806949   -3.589198    24    60
    60  N     -0.837571   -0.973678   -4.339006    24    59
    61  N      1.018399    6.089347    1.590609    24    62
    62  N      1.395282    5.609209    0.650122    24    61
    63  N     -8.441298    3.556491    3.246535    24    64
    64  N     -8.132039    4.548281    2.824870    24    63
    65  N      8.977137   -5.839836    8.613500    24    66
    66  N      8.550778   -6.776260    9.058942    24    65
    67  N      0.806900   -7.916520   -5.390441    24    68
    68  N     -0.180228   -7.515172   -5.739137    24    67
    69  N     -2.509941    5.709604    5.809672    24    70
    70  N     -2.238136    5.915092    6.877842    24    69
    71  N      0.980781   -0.999521    2.962695    24    72
    72  N      0.777916   -0.998120    4.065389    24    71
    73  N      3.141558   -3.507361   -9.208958    24    74
    74  N      2.867739   -4.323343   -8.490428    24    73
    75  N     -2.969338    3.264967    1.803016    24    76
    76  N     -2.376462    3.846098    2.556589    24    75
    77  N      7.669505    1.808310    0.429431    24    78
    78  N      6.727801    2.126382    0.948192    24    77
    79  N      6.632489   -9.510388    5.638759    24    80
    80  N      6.463468   -8.711607    4.870339    24    79
    81  N     -4.233145    0.062131   -1.272347    24    82
    82  N     -3.374786    0.765921   -1.430427    24    81
    83  N     -0.699505    8.541781    3.284842    24    84
    84  N      0.391671    8.788702    3.210985    24    83
    85  N      4.752617   -5.880709   -3.025104    24    86
    86  N      4.076685   -6.614346   -2.513263    24    85
    87  N      1.295141    2.799679    4.869527    24    88
    88  N      0.426329    2.767365    4.161565    24    87
    89  N     -3.507035   -8.569113   -4.473766    24    90
    90  N     -3.512436   -8.939436   -3.415502    24    89
    91  N      8.934689   -0.069823    3.321305    24    92
    92  N      8.553912   -0.916394    2.692485    24    91
    93  N     -1.863548   -4.551482    3.245793    24    94
    94  N     -0.968732   -4.730484    3.897215    24    93
    95  N     -3.961546    3.828038   -5.746236    24    96
    96  N     -2.861610    4.045183   -5.737267    24    95
    97  N      6.772980   -0.812808   -4.346939    24    98
    98  N      5.933237   -0.354141   -4.931358    24    97
    99  N     -0.844012    1.729104    7.341920    24   100
   100  N     -1.080343    0.695306    7.705925    24    99
   101  N     -4.930941    6.779913    2.846253    24   102
   102  N     -4.613811    7.045389    1.804121    24   101
   103  N     -8.239687    4.991895   -8.614398    24   104
   104  N     -7.830669    5.933727   -8.164123    24   103
   105  N     -0.864023    3.119540   -2.389051    24   106
   106  N     -0.611910    2.667122   -3.383458    24   105
   107  N      2.552163   -5.335779    3.902612    24   108
   108  N      3.405702   -5.316305    3.175851    24   107
   109  N      5.499087    2.643041   -3.482383    24   110
   110  N      5.280484    2.291207   -2.440503    24   109
   111  N     -6.283477   -3.349655   -7.782797    24   112
   112  N     -6.110191   -3.400616   -8.889352    24   111
   113  N     -6.830258   -6.571925   -2.009085    24   114
   114  N     -5.779440   -6.505983   -2.394472    24   113
   115  N      4.094685    7.237775    3.862003    24   116
   116  N      4.169350    6.761845    2.849578    24   115
   117  N      3.689414   -8.540229    6.868692    24   118
   118  N      2.884070   -8.076109    6.241713    24   117
   119  N      7.770562    5.541613    6.388473    24   120
   120  N      8.025801    5.566513    5.296995    24   119
   121  N     -5.026395   -7.380914    3.853762    24   122
   122  N     -3.908760   -7.462072    3.891089    24   121
   123  N     -2.722851   -0.271302    1.805350    24   124
   124  N     -2.048295   -1.123428    2.080936    24   123
   125  N      6.254898   -4.142518   -5.827431    24   126
   126  N      5.541403   -3.677323   -6.556546    24   125
   127  N     -2.971357   -5.882591   -7.887975    24   128
   128  N     -2.911485   -6.997538   -7.989943    24   127
   129  N     -7.326097   -6.079816   -5.452822    24   130
   130  N     -6.366297   -6.489384   -5.862855    24   129
   131  N      2.269500   -3.891286   -4.496017    24   132
   132  N      2.766774   -3.331463   -5.330526    24   131
   133  N     -6.400053    8.365747   -1.730090    24   134
   134  N     -6.736683    7.434484   -1.204240    24   133
   135  N      1.190445   -9.067336   -2.015435    24   136
   136  N      0.472897   -8.213330   -2.128961    24   135
   137  N      6.958198    3.847281    9.420763    24   138
   138  N      6.893239    3.308643    8.439570    24   137
   139  N     -4.369313   -3.468886   -5.357559    24   140
   140  N     -3.742187   -2.874264   -4.643255    24   139
   141  N     -6.058173    7.169853    6.380039    24   142
   142  N     -5.211164    7.904394    6.369341    24   141
   143  N     -6.367357    0.241234    1.703112    24   144
   144  N     -5.877978    1.058041    2.295079    24   143
   145  N     -5.384095   -5.278394    6.767005    24   146
   146  N     -5.486605   -4.230619    6.381323    24   145
   147  N     -5.903814    1.309006   -4.321961    24   148
   148  N     -6.784333    1.599797   -4.952212    24   147
   149  N      3.673594    0.083914   -0.285967    24   150
   150  N      3.985802   -0.061655    0.781003    24   149
   151  N      7.646738   -1.606729   -8.867202    24   152
   152  N      6.565109   -1.354290   -9.020299    24   151
   153  N      4.357992   -8.121485   -7.775781    24   154
   154  N      5.108672   -7.498914   -7.222632    24   153
   155  N      7.420372    5.349742    0.888419    24   156
   156  N      7.662477    6.442246    0.958502    24   155
   157  N     -8.543226   -6.370613    4.599857    24   158
   158  N     -8.122099   -5.655675    5.353914    24   157
   159  N      1.372698    8.836429   -8.464838    24   160
   160  N      0.429760    8.291126   -8.730551    24   159
   161  N     -0.506922   -5.931443    7.180058    24   162
   162  N      0.198460   -5.849378    8.047693    24   161
   163  N      1.104100    6.328916    5.995269    24   164
   164  N      1.787824    6.921465    6.657460    24   163
   165  N     -1.603734   -5.836595   -2.436989    24   166
   166  N     -1.035635   -5.149797   -3.117180    24   165
   167  N      6.494865   -5.397625    6.780984    24   168
   168  N      5.868146   -4.545649    6.408898    24   167
   169  N     -1.830802   -2.660334    8.076566    24   170
   170  N     -2.693378   -2.386377    8.738380    24   169
   171  N      2.390408    0.750526   -3.744915    24   172
   172  N      2.016605   -0.285884   -3.537038    24   171
   173  N      4.908792    2.099061    5.204313    24   174
   174  N      6.013923    2.287227    5.185151    24   173
   175  N     -8.491672   -3.061968   -5.444156    24   176
   176  N     -8.333519   -1.956079   -5.539478    24   175
   177  N      0.211590    1.720568    1.062439    24   178
   178  N      0.989123    1.556856    0.271408    24   177
   179  N      8.055772    8.264149   -8.450160    24   180
   180  N      8.468160    8.046656   -9.469827    24   179
   181  N      1.235810   -2.125402   -0.544375    24   182
   182  N      0.159068   -1.834896   -0.428947    24   181
   183  N     -7.127328   -7.454925    0.918005    24   184
   184  N     -8.081123   -7.079718    1.372522    24   183
   185  N     -8.464390    8.562409    4.479991    24   186
   186  N     -8.067895    8.752489    3.448609    24   185
   187  N      2.144088   -0.732098   -6.839692    24   188
   188  N      2.963583   -0.050260   -7.186988    24   187
   189  N      5.403692   -1.020711    3.998584    24   190
   190  N      4.426338   -1.524957    3.780394    24   189
   191  N     -0.329927    7.020678   -5.166129    24   192
   192  N     -1.137667    6.666090   -4.474093    24   191
   193  N      3.951718   -8.720469    0.414430    24   194
   194  N      2.920437   -8.340791    0.636677    24   193
   195  N      2.852004    2.949469    7.963391    24   196
   196  N      3.695736    2.688596    8.654151    24   195
   197  N     -5.230640   -3.425482    2.961026    24   198
   198  N     -5.083739   -4.431418    2.488158    24   197
   199  N      6.870039   -4.513741    3.018283    24   200
   200  N      6.724930   -5.612499    2.848688    24   199
   201  N     -6.622681    0.515305    8.748711    24   202
   202  N     -5.918387    0.141927    7.960263    24   201
   203  N     -1.534663    7.455988   -1.451535    24   204
   204  N     -1.551942    7.380655   -0.333002    24   203
   205  N      8.037587   -8.338267   -5.497370    24   206
   206  N      7.379736   -8.975335   -4.850480    24   205
   207  N      8.627332    5.538040   -2.361276    24   208
   208  N      9.401734    4.907172   -2.870586    24   207
   209  N     -4.709130    3.374761    5.114952    24   210
   210  N     -4.343573    2.652033    5.890273    24   209
   211  N     -3.496580   -1.103677    5.330933    24   212
   212  N     -4.547201   -0.878868    5.010393    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.015869    2.957804    0.666563    24     2
     2  N     -5.923448    3.103739    0.460631    24     1
     3  N     -7.724307    0.292452   -2.980921    24     4
     4  N     -7.921210    0.940215   -2.087208    24     3
     5  N     -4.439121   -3.172187   -0.961520    24     6
     6  N     -5.117289   -4.011243   -0.656293    24     5
     7  N      7.967451   -7.640038    0.965365    24     8
     8  N      8.651923   -8.063030    0.184555    24     7
     9  N     -1.712780    4.926778   -8.507093    24    10
    10  N     -1.034370    5.483302   -9.205040    24     9
    11  N     -1.887847   -8.399955    7.703301    24    12
    12  N     -2.486636   -9.272094    8.074668    24    11
    13  N      4.273338   -3.328961   -0.682463    24    14
    14  N      4.987606   -3.864077   -1.361110    24    13
    15  N     -2.810512    8.446492   -6.546102    24    16
    16  N     -3.811261    8.669471   -6.999832    24    15
    17  N     -6.808639   -8.508050   -8.144683    24    18
    18  N     -6.511394   -7.960599   -9.076902    24    17
    19  N      4.444939    7.209301    7.949128    24    20
    20  N      4.278728    6.426939    7.163397    24    19
    21  N     -4.502117    5.038342   -2.179956    24    22
    22  N     -3.740195    5.780366   -1.825042    24    21
    23  N      3.849390    7.608386   -5.809379    24    24
    24  N      4.133591    8.674130   -5.608107    24    23
    25  N     -3.291669    1.861299   -8.306090    24    26
    26  N     -2.818056    0.855366   -8.450582    24    25
    27  N     -1.139039   -2.325827   -6.884763    24    28
    28  N     -0.168712   -2.313048   -7.446360    24    27
    29  N      4.756259    2.921370    1.098286    24    30
    30  N      4.614605    3.928009    1.571256    24    29
    31  N      3.333353    4.615362   -3.661192    24    32
    32  N      2.262226    4.284215   -3.672078    24    31
    33  N      1.352854   -6.320188    1.676869    24    34
    34  N      0.503820   -6.911082    1.244348    24    33
    35  N      8.477210    1.552686    6.709211    24    36
    36  N      8.683951    1.699632    5.617078    24    35
    37  N     -8.367444   -3.860742   -0.099296    24    38
    38  N     -8.725696   -4.726150    0.516995    24    37
    39  N      2.736203    4.662316   -7.129883    24    40
    40  N      2.673263    5.571918   -7.782381    24    39
    41  N     -6.614927    9.211703   -5.092835    24    42
    42  N     -6.497153    8.101488   -5.196001    24    41
    43  N      8.068872   -5.223511   -2.899152    24    44
    44  N      8.343112   -4.168364   -3.160969    24    43
    45  N      7.471819    1.565412   -4.852086    24    46
    46  N      6.397088    1.674419   -4.551819    24    45
    47  N      7.560751    5.313927   -5.370132    24    48
    48  N      6.519223    5.712677   -5.254775    24    47
    49  N     -8.976119   -2.036030    8.273522    24    50
    50  N     -8.373324   -1.915763    7.335833    24    49
    51  N     -2.964984   -7.577652    0.438541    24    52
    52  N     -2.675618   -6.581817    0.012313    24    51
    53  N      5.024356    7.525535   -2.156883    24    54
    54  N      6.055405    7.155276   -1.918268    24    53
    55  N      1.656075   -1.386246    6.327156    24    56
    56  N      2.214896   -0.765340    7.075010    24    55
    57  N     -5.668107    4.270466    8.163878    24    58
    58  N     -4.602123    4.256453    8.511109    24    57
    59  N     -0.853307    0.605068   -3.691154    24    60
    60  N     -0.689761    0.533511   -4.798052    24    59
    61  N      1.263469    5.390637   -0.588974    24    62
    62  N      2.350095    5.625446   -0.443371    24    61
    63  N     -6.736480    3.649940    4.940648    24    64
    64  N     -7.020021    3.774788    3.863101    24    63
    65  N     -9.006076   -5.421118    9.199775    24    66
    66  N     -8.552734   -5.305760    8.180823    24    65
    67  N      2.293923   -6.522057   -6.379999    24    68
    68  N      1.321271   -5.964951   -6.354087    24    67
    69  N     -2.671078    4.299693    4.462198    24    70
    70  N     -3.700344    3.899455    4.655875    24    69
    71  N      1.691263   -2.001957    2.996086    24    72
    72  N      1.599600   -1.005158    2.491029    24    71
    73  N      2.904297   -3.060024   -7.993823    24    74
    74  N      3.383554   -2.072277   -7.766313    24    73
    75  N     -2.578229    4.054391    0.925286    24    76
    76  N     -1.606880    4.592384    1.080637    24    75
    77  N      7.601391    1.532429    1.943910    24    78
    78  N      8.652685    1.150448    2.021115    24    77
    79  N      6.293852   -8.101093    5.508169    24    80
    80  N      6.767532   -7.356127    6.199357    24    79
    81  N     -3.856598    0.622382   -2.220995    24    82
    82  N     -4.371775    1.586162   -2.471620    24    81
    83  N     -1.028175    9.298413    3.473707    24    84
    84  N     -1.467498    8.533945    4.166291    24    83
    85  N      4.422635   -7.119646   -3.255448    24    86
    86  N      3.633931   -6.575130   -2.673608    24    85
    87  N      1.154920    3.381992    2.774491    24    88
    88  N      0.403184    2.774879    3.343168    24    87
    89  N     -2.649861    8.898023   -2.527236    24    90
    90  N     -3.701021    8.713264   -2.870772    24    89
    91  N     -8.263852   -1.626329    4.119794    24    92
    92  N     -8.958886   -2.163926    3.423373    24    91
    93  N     -1.586187   -5.205557    3.299256    24    94
    94  N     -0.842595   -5.246736    4.137388    24    93
    95  N     -3.369081    4.344338   -5.524790    24    96
    96  N     -3.922813    5.303071   -5.347864    24    95
    97  N      5.763491   -1.393715   -4.975656    24    98
    98  N      5.960458   -1.946713   -4.020415    24    97
    99  N     -1.242747    1.670180    6.202641    24   100
   100  N     -2.250881    1.180647    6.169255    24    99
   101  N     -5.622660    6.005635    1.942784    24   102
   102  N     -5.115481    6.968370    1.672597    24   101
   103  N     -8.990259    2.958417   -7.705977    24   104
   104  N     -8.140284    3.604105   -8.049081    24   103
   105  N     -1.148278    3.842532   -2.771956    24   106
   106  N     -1.183276    3.326484   -1.777190    24   105
   107  N      2.985589   -4.996655    4.724651    24   108
   108  N      3.488147   -4.388679    5.521451    24   107
   109  N      6.720756    3.489848   -1.702464    24   110
   110  N      7.325406    2.605594   -1.371432    24   109
   111  N     -5.284428   -2.899586   -7.516968    24   112
   112  N     -5.840184   -3.005543   -8.484954    24   111
   113  N     -5.928483   -6.866866   -2.308130    24   114
   114  N     -4.865950   -6.792141   -2.658173    24   113
   115  N      5.502491    6.780459    3.371427    24   116
   116  N      4.869182    7.327009    2.624909    24   115
   117  N      3.048840   -8.065776    6.429700    24   118
   118  N      2.395771   -8.911921    6.091132    24   117
   119  N      7.497421    5.329470    5.665376    24   120
   120  N      8.391615    4.965018    5.095566    24   119
   121  N     -5.115190   -8.915676    4.015395    24   122
   122  N     -4.311217   -8.143429    4.135198    24   121
   123  N     -2.159883   -1.997475    1.912415    24   124
   124  N     -3.229860   -2.295539    1.759450    24   123
   125  N      5.180152   -4.684985   -5.743804    24   126
   126  N      5.825725   -5.601678   -5.743041    24   125
   127  N     -2.472632   -5.434435   -7.811056    24   128
   128  N     -3.166258   -6.315327   -7.811931    24   127
   129  N     -7.805343   -5.769155   -5.612057    24   130
   130  N     -6.698535   -5.628151   -5.722430    24   129
   131  N      2.805261   -2.303026   -4.082373    24   132
   132  N      2.006288   -2.553256   -4.828105    24   131
   133  N     -7.090533    7.685450   -1.419799    24   134
   134  N     -7.469478    6.816210   -0.821543    24   133
   135  N      0.619424   -8.498075   -2.153427    24   136
   136  N      0.660637   -8.305542   -3.257204    24   135
   137  N      6.235907    4.391172   -8.596547    24   138
   138  N      6.482198    3.834585   -9.538163    24   137
   139  N     -6.556472   -3.020135   -3.723821    24   140
   140  N     -5.731358   -2.332502   -4.045440    24   139
   141  N     -5.856493    7.989453    6.736057    24   142
   142  N     -5.317299    7.142023    6.237838    24   141
   143  N     -5.876104   -0.293626    0.474383    24   144
   144  N     -6.622234   -0.758194    1.170484    24   143
   145  N     -4.797359   -5.227646    7.329922    24   146
   146  N     -5.279917   -5.682014    6.425612    24   145
   147  N     -5.756700    1.018196   -5.644683    24   148
   148  N     -6.278178    0.302780   -6.332673    24   147
   149  N      5.220451   -0.636203    0.355126    24   150
   150  N      4.889677   -0.903118    1.392640    24   149
   151  N      6.027138   -0.089054   -8.681352    24   152
   152  N      5.488201    0.564171   -7.946552    24   151
   153  N      5.279167   -6.939485   -9.199328    24   154
   154  N      4.197019   -6.848414   -8.920486    24   153
   155  N      7.868813    5.076293    0.955864    24   156
   156  N      7.784069    6.192867    1.012193    24   155
   157  N     -8.250684   -5.987335    4.957961    24   158
   158  N     -8.595846   -4.999863    4.554415    24   157
   159  N      0.818841    8.574031   -8.649937    24   160
   160  N      1.678269    8.926013   -8.021778    24   159
   161  N      0.498398   -5.796809    8.106407    24   162
   162  N      0.228314   -4.708628    8.103913    24   161
   163  N     -0.058432    5.503484    5.220764    24   164
   164  N      0.510262    6.129474    5.956844    24   163
   165  N     -1.696839   -4.999837   -4.239825    24   166
   166  N     -0.953000   -4.230513   -3.905265    24   165
   167  N      6.149799   -3.813006    7.641351    24   168
   168  N      5.268930   -3.457123    8.236754    24   167
   169  N     -1.439715   -1.924551    7.022905    24   170
   170  N     -1.790436   -2.048271    8.080628    24   169
   171  N      3.033798    0.103953   -2.048105    24   172
   172  N      4.014229    0.595290   -2.281409    24   171
   173  N      5.123006    2.328845    5.535024    24   174
   174  N      4.217862    1.667201    5.540361    24   173
   175  N     -8.750283   -2.862037   -6.597392    24   176
   176  N     -9.380791   -1.984314   -6.895976    24   175
   177  N      0.118459    0.144387   -0.582921    24   178
   178  N     -0.223468    0.853684    0.215247    24   177
   179  N      8.080482    8.422250    8.249188    24   180
   180  N      8.711079    7.602894    7.815493    24   179
   181  N      0.638419   -3.999800   -1.209134    24   182
   182  N      0.371963   -3.704575   -0.160833    24   181
   183  N     -7.213478   -7.354053    2.124278    24   184
   184  N     -6.667077   -8.003242    1.391414    24   183
   185  N     -8.074602    8.022465    3.844049    24   186
   186  N     -8.868730    8.682841    4.280344    24   185
   187  N      2.337358    1.561373   -5.822059    24   188
   188  N      1.993137    1.260073   -6.845690    24   187
   189  N      5.735648   -1.997385    4.627261    24   190
   190  N      4.660341   -1.682570    4.668450    24   189
   191  N     -0.334952    6.718001   -4.695498    24   192
   192  N      0.049323    6.515856   -5.729210    24   191
   193  N      3.360794   -8.524987    0.530914    24   194
   194  N      4.087202   -7.963815    1.174737    24   193
   195  N      2.714705    3.216252    8.070417    24   196
   196  N      1.750270    3.395598    7.527474    24   195
   197  N     -5.558077   -3.904438    3.614416    24   198
   198  N     -5.249219   -4.857604    3.111252    24   197
   199  N      6.805142   -5.217649    3.046817    24   200
   200  N      6.605600   -4.196348    2.629427    24   199
   201  N     -6.505036    0.758740    7.895492    24   202
   202  N     -6.206532    1.207751    6.912447    24   201
   203  N     -1.454101    7.703297    0.492169    24   204
   204  N     -0.533199    8.319803    0.322023    24   203
   205  N      7.512571   -9.178743   -6.124376    24   206
   206  N      7.418227   -8.298055   -6.811819    24   205
   207  N     -7.739394    3.696955   -3.908618    24   208
   208  N     -7.564610    4.754045   -3.578312    24   207
   209  N     -4.679439    1.136344    3.285570    24   210
   210  N     -3.590291    0.899760    3.163605    24   209
   211  N     -5.081475   -1.484054    5.329997    24   212
   212  N     -5.348786   -2.146654    6.194054    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.163091    3.705283    0.744237    24     2
     2  N     -7.006642    4.255607    0.251639    24     1
     3  N      8.544464    0.468722   -1.773795    24     4
     4  N      9.198301    0.903316   -0.973348    24     3
     5  N     -2.659355   -1.809640   -1.140878    24     6
     6  N     -2.938712   -2.477560   -1.996993    24     5
     7  N      7.548459   -8.652755    1.640828    24     8
     8  N      8.003763   -8.325956    0.669751    24     7
     9  N     -1.594567    5.722285    7.046498    24    10
    10  N     -1.038557    5.659821    8.018116    24     9
    11  N     -1.530906   -8.308236    7.182674    24    12
    12  N     -2.189177   -9.018077    6.617083    24    11
    13  N      3.894190   -2.616538   -1.050182    24    14
    14  N      4.384100   -1.898631   -0.341883    24    13
    15  N     -2.960676    8.365446   -8.101524    24    16
    16  N     -2.911964    7.517109   -7.370060    24    15
    17  N     -7.458751   -8.721211   -8.241558    24    18
    18  N     -6.367319   -8.560671   -8.441788    24    17
    19  N      4.382551    6.839183    6.955989    24    20
    20  N      5.105759    5.983955    7.007405    24    19
    21  N     -3.124888    5.390885   -3.257808    24    22
    22  N     -4.111454    5.070090   -2.832523    24    21
    23  N      4.478828    8.755274   -5.992287    24    24
    24  N      3.370439    8.906687   -5.917205    24    23
    25  N     -1.944645    2.034697   -7.912570    24    26
    26  N     -1.966198    2.925127   -8.593568    24    25
    27  N     -0.736547   -1.608720   -6.028331    24    28
    28  N     -0.253027   -1.315934   -6.996614    24    27
    29  N      5.449491    2.108027    2.190573    24    30
    30  N      4.347876    2.289955    2.292727    24    29
    31  N      4.236153    4.873201   -3.960517    24    32
    32  N      3.872866    5.537815   -4.787197    24    31
    33  N      1.523390   -6.292305    2.367468    24    34
    34  N      0.862661   -5.536519    1.868153    24    33
    35  N     -8.255287    0.766166    6.691688    24    36
    36  N     -8.846008    1.580313    7.186969    24    35
    37  N      8.505859   -4.569887    0.534073    24    38
    38  N      9.037099   -3.670367    0.941182    24    37
    39  N      2.450458    6.096135   -8.121807    24    40
    40  N      2.297882    4.993668   -7.986248    24    39
    41  N     -6.248389    8.719481   -4.860812    24    42
    42  N     -6.221193    7.599531   -4.906213    24    41
    43  N      8.648951   -3.864308   -3.305658    24    44
    44  N      7.684556   -4.434749   -3.265288    24    43
    45  N      7.367767    1.881802   -5.199252    24    46
    46  N      6.950837    1.142342   -4.466818    24    45
    47  N      8.114631    7.529520   -5.181707    24    48
    48  N      8.469698    7.228809   -6.201800    24    47
    49  N     -7.319365   -2.349836    7.812076    24    50
    50  N     -8.312318   -2.541132    7.327784    24    49
    51  N     -1.908678   -8.262197   -0.232940    24    52
    52  N     -2.955885   -8.205015    0.163516    24    51
    53  N      5.240193    7.595506   -1.479226    24    54
    54  N      6.124365    7.364982   -0.829467    24    53
    55  N      1.975392   -0.771480    6.686155    24    56
    56  N      1.373709   -1.481926    7.310922    24    55
    57  N     -7.590050    4.933575    9.269556    24    58
    58  N     -8.179812    4.595505    8.377940    24    57
    59  N     -1.443922    1.635321   -3.937336    24    60
    60  N     -2.287073    1.913517   -4.622020    24    59
    61  N      3.669909    5.287222    0.550514    24    62
    62  N      2.937895    5.222262   -0.296261    24    61
    63  N     -6.782199    4.874728    5.187319    24    64
    64  N     -7.215728    4.119850    4.480707    24    63
    65  N     -8.470094   -5.753341    8.888347    24    66
    66  N     -8.637482   -5.768285    7.779813    24    65
    67  N      1.394500   -5.060349   -6.056582    24    68
    68  N      1.810579   -6.100349   -6.105248    24    67
    69  N     -2.704292    4.522618    3.882850    24    70
    70  N     -3.481180    4.395100    4.681144    24    69
    71  N      1.939313   -2.012228    2.803158    24    72
    72  N      1.956670   -2.501613    1.794549    24    71
    73  N      3.045344   -2.804658   -8.300139    24    74
    74  N      3.333029   -1.743515   -8.080359    24    73
    75  N     -1.768115    3.270849    0.489809    24    76
    76  N     -0.902258    3.240138    1.201452    24    75
    77  N      8.961430    2.279992    2.223860    24    78
    78  N      8.550651    1.363444    2.722146    24    77
    79  N      7.254148   -7.497080    5.770663    24    80
    80  N      6.166329   -7.593500    5.516811    24    79
    81  N     -4.881240    0.968883   -2.228860    24    82
    82  N     -4.605190    1.872662   -1.625477    24    81
    83  N     -0.331243    8.656401    2.649644    24    84
    84  N     -0.417641    8.173780    3.657960    24    83
    85  N      5.863727   -6.928204   -2.402829    24    86
    86  N      6.216959   -7.917346   -2.010511    24    85
    87  N      1.329829    1.167220    2.970385    24    88
    88  N      0.285930    1.031702    3.356387    24    87
    89  N     -2.452902   -9.084402   -4.598828    24    90
    90  N     -2.664230   -9.150684   -3.499720    24    89
    91  N     -9.068469   -2.419579    3.757100    24    92
    92  N     -8.135290   -2.873193    4.181954    24    91
    93  N     -2.165149   -4.998954    4.829263    24    94
    94  N     -1.103999   -4.973142    4.468177    24    93
    95  N     -4.611799    4.498572   -6.159210    24    96
    96  N     -5.038744    3.572262   -5.693637    24    95
    97  N      4.932092   -1.570358   -4.303137    24    98
    98  N      5.936437   -1.744844   -3.836304    24    97
    99  N     -1.422801    1.790394    6.208340    24   100
   100  N     -2.162988    1.198365    5.609412    24    99
   101  N     -5.295951    6.288059    2.464609    24   102
   102  N     -4.574835    6.483326    1.628576    24   101
   103  N     -8.858356    1.589306   -7.688735    24   104
   104  N     -8.162930    2.349984   -7.247329    24   103
   105  N      0.616703    3.555599   -2.596952    24   106
   106  N      0.417041    4.635594   -2.822416    24   105
   107  N      3.291134   -5.173548    5.434912    24   108
   108  N      3.136802   -4.655784    4.452470    24   107
   109  N      6.295914    3.069289   -0.872812    24   110
   110  N      6.881819    3.605454   -1.664222    24   109
   111  N     -4.882817   -2.527499   -7.180513    24   112
   112  N     -3.797684   -2.520217   -6.898515    24   111
   113  N     -6.252328   -6.153319   -2.281596    24   114
   114  N     -7.129243   -5.752510   -1.709352    24   113
   115  N      4.997596    6.967318    3.507019    24   116
   116  N      5.023388    7.624641    2.599081    24   115
   117  N      2.442185   -8.332191    5.352431    24   118
   118  N      2.797455   -9.005018    4.528917    24   117
   119  N      7.551502    4.739128    5.419507    24   120
   120  N      7.035817    4.064745    4.687136    24   119
   121  N     -3.392652   -8.113841    3.304364    24   122
   122  N     -4.127879   -8.891204    3.639385    24   121
   123  N     -1.333681   -1.668989    2.407141    24   124
   124  N     -1.850264   -2.517400    1.887112    24   123
   125  N      4.898325   -4.472016   -5.623440    24   126
   126  N      5.255253   -5.533973   -5.579385    24   125
   127  N     -3.455427   -5.669491   -8.530991    24   128
   128  N     -3.327130   -6.433462   -7.720450    24   127
   129  N     -7.589019   -5.761341   -5.473879    24   130
   130  N     -6.663237   -5.713275   -6.104520    24   129
   131  N      1.425757   -0.955369   -3.191721    24   132
   132  N      1.814348   -1.422730   -4.133878    24   131
   133  N     -9.194235    7.594453   -1.727784    24   134
   134  N     -8.198170    8.000777   -1.411804    24   133
   135  N      0.724197   -7.982904   -3.495935    24   136
   136  N      0.341549   -7.530565   -2.544064    24   135
   137  N      6.866037    4.585795   -7.526855    24   138
   138  N      5.750991    4.700784   -7.550096    24   137
   139  N     -6.598440   -1.970810   -2.465967    24   140
   140  N     -6.108825   -2.893101   -2.874314    24   139
   141  N     -5.760678    8.314782    6.485889    24   142
   142  N     -5.519022    7.676028    7.375094    24   141
   143  N     -6.093821   -1.541862    0.655050    24   144
   144  N     -6.820161   -1.017226    1.329051    24   143
   145  N     -5.434283   -6.182361    7.290874    24   146
   146  N     -5.134305   -5.229532    6.781739    24   145
   147  N     -5.832278    0.521742   -5.481963    24   148
   148  N     -6.803870    0.522932   -4.922413    24   147
   149  N      6.449658   -2.279522    2.193307    24   150
   150  N      5.738240   -1.729985    2.863369    24   149
   151  N      5.425885    1.942993   -9.078559    24   152
   152  N      6.123310    1.237748   -8.555762    24   151
   153  N      3.995277   -7.734970    9.129087    24   154
   154  N      4.074474   -8.719757    8.598982    24   153
   155  N      8.330550    5.874344    0.825264    24   156
   156  N      7.573947    5.355692    1.469968    24   155
   157  N     -7.959109   -6.868311    4.325015    24   158
   158  N     -8.542259   -6.651064    3.392370    24   157
   159  N      0.729576   -8.525028   -8.222033    24   160
   160  N      0.572731   -9.557380   -8.630370    24   159
   161  N      0.155918   -5.469646    8.841822    24   162
   162  N      0.273563   -4.981961    7.839120    24   161
   163  N      0.451170    4.353674    4.889689    24   164
   164  N      1.094967    4.997541    5.543945    24   163
   165  N     -2.933623   -5.252880   -3.381975    24   166
   166  N     -3.466196   -4.803613   -4.260390    24   165
   167  N      6.848512   -4.351371   -9.179053    24   168
   168  N      6.029959   -3.629517   -8.922177    24   167
   169  N     -2.392242   -2.483580    6.970489    24   170
   170  N     -2.540254   -1.839828    7.876450    24   169
   171  N      3.275778    2.385052   -1.347472    24   172
   172  N      3.499648    1.362015   -1.747929    24   171
   173  N      4.234351    2.939760    5.742283    24   174
   174  N      3.293382    2.335218    5.820982    24   173
   175  N      8.604411   -1.789464   -7.077282    24   176
   176  N      8.034453   -2.145821   -6.179926    24   175
   177  N      0.165645   -0.270245   -0.314488    24   178
   178  N      0.697000    0.671776   -0.018943    24   177
   179  N      7.953318    7.360109    8.166427    24   180
   180  N      8.429365    8.176431    7.563031    24   179
   181  N      0.982787   -4.444486   -1.287898    24   182
   182  N      0.076415   -3.895948   -1.654895    24   181
   183  N     -6.378905   -9.208277    1.161287    24   184
   184  N     -6.688169   -8.314053    0.559782    24   183
   185  N      9.582477    7.749215    3.572593    24   186
   186  N      8.531709    7.644891    3.949544    24   185
   187  N      3.622326    2.098708   -5.385333    24   188
   188  N      3.134466    1.389332   -6.103573    24   187
   189  N      6.278343   -1.903917    6.199778    24   190
   190  N      5.924379   -0.933903    6.636669    24   189
   191  N     -0.080318    6.750477   -5.589452    24   192
   192  N     -0.743133    5.878094   -5.827601    24   191
   193  N      2.505185    9.624651    0.064705    24   194
   194  N      2.317890    8.639509    0.566208    24   193
   195  N      2.058675    1.384693   -9.179827    24   196
   196  N      1.298354    2.147971   -8.869336    24   195
   197  N     -5.280796   -3.977444    2.303106    24   198
   198  N     -5.613690   -5.002219    1.993089    24   197
   199  N      5.091571   -6.052765    0.793907    24   200
   200  N      5.017675   -5.232336    1.554514    24   199
   201  N     -5.565937    1.442206    9.234237    24   202
   202  N     -4.926266    1.545259    8.319200    24   201
   203  N     -0.906781    7.050486   -0.704257    24   204
   204  N     -0.300988    7.561217   -1.497515    24   203
   205  N      7.505230   -8.018802   -7.440167    24   206
   206  N      7.201268   -7.825474   -8.501921    24   205
   207  N     -8.737942    4.390484   -4.673596    24   208
   208  N     -7.890615    3.935265   -4.097488    24   207
   209  N     -5.635622    1.103853    3.415454    24   210
   210  N     -4.619012    1.402327    3.048702    24   209
   211  N     -4.578884   -1.793537    4.803468    24   212
   212  N     -5.349652   -1.685636    5.610539    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.347044    5.267476   -0.963324    24     2
     2  N     -6.981396    5.197135    0.094240    24     1
     3  N      8.163030   -0.160465   -1.879376    24     4
     4  N      9.043082    0.520725   -1.743077    24     3
     5  N     -2.698754   -1.192026   -1.567985    24     6
     6  N     -2.108686   -0.514845   -0.896915    24     5
     7  N      7.704797   -8.841044    1.079980    24     8
     8  N      6.745768   -8.289512    0.897866    24     7
     9  N     -1.398827    6.034256    7.871234    24    10
    10  N     -1.633459    5.044263    8.342351    24     9
    11  N     -1.525743   -8.688524    7.902219    24    12
    12  N     -1.826813   -8.317323    6.887993    24    11
    13  N      4.684454   -2.854577   -0.536900    24    14
    14  N      4.270121   -2.443135    0.420249    24    13
    15  N     -3.281058    8.034882   -7.915203    24    16
    16  N     -3.679796    7.668772   -8.897069    24    15
    17  N     -7.381828   -8.691255    8.918137    24    18
    18  N     -6.373113   -8.269204    8.670231    24    17
    19  N      4.581150    6.710616    7.474465    24    20
    20  N      5.221896    5.853880    7.809930    24    19
    21  N     -3.476918    4.483517   -3.358285    24    22
    22  N     -4.066050    5.287506   -2.844852    24    21
    23  N      4.804145    8.465968   -4.851154    24    24
    24  N      3.758206    8.542959   -5.247607    24    23
    25  N     -1.922289    2.327169   -7.431671    24    26
    26  N     -1.324670    1.949497   -8.301903    24    25
    27  N     -0.906646   -0.648240   -6.552900    24    28
    28  N     -1.463858   -1.508974   -7.006486    24    27
    29  N      4.762243    1.445705    1.509846    24    30
    30  N      4.599811    0.839180    2.438733    24    29
    31  N      3.968077    4.879544   -3.998052    24    32
    32  N      4.983940    4.477350   -3.746351    24    31
    33  N     -0.387355   -6.980733    2.334105    24    34
    34  N     -1.351852   -6.828751    1.782983    24    33
    35  N     -7.262034    1.167076    5.767434    24    36
    36  N     -7.629003    1.457223    4.748495    24    35
    37  N      8.743613   -3.854076    0.395313    24    38
    38  N      7.768717   -4.287731    0.050912    24    37
    39  N      1.543921    5.045822   -8.467415    24    40
    40  N      2.485445    5.643228   -8.350242    24    39
    41  N     -6.735658    8.413431   -5.659127    24    42
    42  N     -6.380507    7.392901   -5.360001    24    41
    43  N      8.680815   -3.594652   -2.856108    24    44
    44  N      7.993499   -3.334404   -3.702843    24    43
    45  N      7.751547    1.825986   -5.148720    24    46
    46  N      7.170909    2.042384   -4.214310    24    45
    47  N      7.800050    8.155409   -5.991396    24    48
    48  N      7.838369    8.420224   -4.902592    24    47
    49  N     -5.911171   -2.710096    8.316699    24    50
    50  N     -6.850602   -2.101997    8.247599    24    49
    51  N     -3.258862    8.325289   -1.275432    24    52
    52  N     -3.076977    9.288037   -0.730343    24    51
    53  N      4.452270    6.715861   -1.494503    24    54
    54  N      4.846277    6.844939   -0.452780    24    53
    55  N      0.714622   -1.281527    6.760246    24    56
    56  N      1.369246   -2.095689    6.353187    24    55
    57  N     -9.036772    6.025363   -8.714092    24    58
    58  N     -8.122549    6.406845   -8.188968    24    57
    59  N     -3.123253    0.857906   -3.892481    24    60
    60  N     -3.805193    1.282475   -4.674651    24    59
    61  N      2.566315    4.006245    0.215524    24    62
    62  N      3.213118    3.640238   -0.623986    24    61
    63  N     -6.287116    5.113086    6.105660    24    64
    64  N     -7.400654    5.230159    6.047194    24    63
    65  N     -8.742405   -5.093569    7.038287    24    66
    66  N     -8.749255   -6.029224    6.420555    24    65
    67  N      0.198284   -4.574815   -5.339979    24    68
    68  N     -0.011456   -5.520877   -5.903955    24    67
    69  N     -1.108134    3.848989    4.034608    24    70
    70  N     -1.111425    4.079004    5.131956    24    69
    71  N      1.368950   -3.997738    2.719271    24    72
    72  N      1.020551   -3.121344    3.325608    24    71
    73  N      2.585818   -1.576581   -7.589895    24    74
    74  N      2.708238   -1.914128   -8.652047    24    73
    75  N     -2.017904    3.421658    0.647716    24    76
    76  N     -1.120298    3.798142    0.091254    24    75
    77  N      8.924182    0.662048    1.403926    24    78
    78  N      8.193837    0.750140    2.250049    24    77
    79  N      5.756582   -7.930907    5.602521    24    80
    80  N      6.237123   -6.932400    5.431778    24    79
    81  N     -5.092361    2.361743   -0.897002    24    82
    82  N     -5.615160    2.304865   -1.887223    24    81
    83  N     -0.543208    7.854770    3.315523    24    84
    84  N     -0.718579    7.894317    2.208830    24    83
    85  N      8.221693   -6.864976   -2.664979    24    86
    86  N      7.188392   -7.283763   -2.546675    24    85
    87  N      1.760509    0.731614    4.360561    24    88
    88  N      1.632121    1.641159    3.717651    24    87
    89  N     -2.996304   -9.358804   -4.770445    24    90
    90  N     -3.434586   -8.441150   -5.242577    24    89
    91  N     -8.695257   -3.085964    4.541057    24    92
    92  N     -8.334819   -2.432909    3.703984    24    91
    93  N     -1.061110   -4.843603    5.430324    24    94
    94  N     -1.892617   -4.791859    4.679985    24    93
    95  N     -5.073273    4.403809   -6.206396    24    96
    96  N     -5.955236    3.830401   -5.818537    24    95
    97  N      5.835032   -1.330589   -5.965397    24    98
    98  N      5.529397   -0.578344   -5.192219    24    97
    99  N     -1.984576    0.669280    6.137334    24   100
   100  N     -1.947575   -0.165634    5.389912    24    99
   101  N     -3.642542    6.871612    1.670514    24   102
   102  N     -3.847185    5.788068    1.873352    24   101
   103  N     -8.635339    1.683037   -8.642331    24   104
   104  N     -9.137611    2.649596   -8.376668    24   103
   105  N      0.421701    2.349534   -3.549105    24   106
   106  N     -0.352767    2.174023   -2.757597    24   105
   107  N      3.316900   -4.709157    5.310709    24   108
   108  N      3.841447   -4.082312    6.078175    24   107
   109  N      6.954185    3.110737   -0.464941    24   110
   110  N      7.388167    4.144230   -0.490257    24   109
   111  N     -4.808135   -1.993250   -5.643485    24   112
   112  N     -5.106344   -1.807483   -6.708216    24   111
   113  N     -5.896965   -7.694198   -1.949759    24   114
   114  N     -6.801668   -7.079985   -2.197442    24   113
   115  N      4.409085    6.441006    2.904580    24   116
   116  N      4.168140    7.535834    2.884978    24   115
   117  N      2.194828   -8.170029    3.915841    24   118
   118  N      1.968284   -7.923426    4.985867    24   117
   119  N      7.911853    3.902274    5.997771    24   120
   120  N      7.265198    4.491159    5.296242    24   119
   121  N     -3.933093   -8.236165    3.277551    24   122
   122  N     -4.876951   -7.845331    3.739579    24   121
   123  N     -1.569493   -1.427981    2.287847    24   124
   124  N     -1.971279   -2.443635    2.034657    24   123
   125  N      3.611384   -5.332811   -5.468091    24   126
   126  N      4.505332   -5.975170   -5.680985    24   125
   127  N     -4.066309   -6.263391   -7.504783    24   128
   128  N     -3.352605   -6.131844   -8.359424    24   127
   129  N     -6.530846   -5.243947   -5.924235    24   130
   130  N     -6.982042   -6.160183   -5.461608    24   129
   131  N      2.581792   -2.209691   -3.039564    24   132
   132  N      1.763624   -1.683987   -3.597529    24   131
   133  N     -8.407650    7.874844   -2.399673    24   134
   134  N     -9.447064    7.872049   -1.979317    24   133
   135  N      0.739115   -7.697355   -2.975794    24   136
   136  N      1.717449   -7.459485   -3.469120    24   135
   137  N      5.702169    4.449609   -7.191806    24   138
   138  N      6.058636    5.393654   -6.703134    24   137
   139  N     -5.887392   -2.624684   -2.492169    24   140
   140  N     -5.981426   -3.699084   -2.798624    24   139
   141  N     -3.400844    6.949747    5.784434    24   142
   142  N     -4.161697    7.429918    6.453484    24   141
   143  N     -5.340575   -0.764051    1.086666    24   144
   144  N     -6.323404   -0.519958    0.605466    24   143
   145  N     -4.918669   -5.652335    6.613375    24   146
   146  N     -5.449919   -5.277749    5.699838    24   145
   147  N     -7.355242    1.104045   -5.241673    24   148
   148  N     -7.096685    0.766633   -4.204181    24   147
   149  N      5.585681   -2.844709    3.703235    24   150
   150  N      6.242272   -2.041378    3.278221    24   149
   151  N      5.534427    1.578977   -9.184269    24   152
   152  N      5.923713    1.326523   -8.163579    24   151
   153  N      3.010190   -7.877825   -8.579121    24   154
   154  N      3.597673   -7.540146   -9.472388    24   153
   155  N      8.545575    6.262470    2.864469    24   156
   156  N      8.480232    5.296185    2.299566    24   155
   157  N     -7.683564   -5.946404    2.956893    24   158
   158  N     -8.600948   -6.483514    2.600511    24   157
   159  N      0.054940    8.912674   -7.534956    24   160
   160  N      0.054520    9.025893   -6.419487    24   159
   161  N      1.104822   -4.580086    9.010718    24   162
   162  N      0.663805   -5.305344    8.278193    24   161
   163  N      1.881895    5.265666    5.874287    24   164
   164  N      1.749392    5.647680    4.828534    24   163
   165  N     -2.756723   -4.771708   -3.584276    24   166
   166  N     -3.190131   -4.564996   -4.597447    24   165
   167  N      6.458542   -2.292912   -8.777414    24   168
   168  N      6.453533   -3.291694   -9.286823    24   167
   169  N     -2.704486   -3.541326    8.259493    24   170
   170  N     -2.626036   -2.522116    7.798902    24   169
   171  N      4.917608    0.304068   -1.848012    24   172
   172  N      4.125810    0.936787   -2.327397    24   171
   173  N      4.769771    1.401102    6.091760    24   174
   174  N      4.477695    2.482518    6.043617    24   173
   175  N     -8.702487   -1.498014   -6.805627    24   176
   176  N     -8.203998   -2.324496   -6.235078    24   175
   177  N      1.404043   -0.263849    0.427392    24   178
   178  N      1.318269    0.007583   -0.657070    24   177
   179  N      7.203989    8.912220    8.020306    24   180
   180  N      7.915691    8.894793    8.886485    24   179
   181  N      0.083193   -4.382210   -0.996539    24   182
   182  N      0.071957   -3.315747   -0.650674    24   181
   183  N     -6.830924    8.381194    0.888020    24   184
   184  N     -6.941237    9.475749    1.104512    24   183
   185  N     -8.551282    8.862090    5.975849    24   186
   186  N     -7.833901    8.904087    5.115216    24   185
   187  N      2.670312    1.455334   -6.132259    24   188
   188  N      2.627199    2.573994   -6.194143    24   187
   189  N      7.660574   -0.669583    6.088514    24   190
   190  N      7.637920   -0.045968    7.020009    24   189
   191  N     -0.625448    5.180855   -5.065802    24   192
   192  N     -1.540298    5.284664   -5.705616    24   191
   193  N      1.686674   -8.842907    0.108376    24   194
   194  N      2.776087   -8.677803   -0.099013    24   193
   195  N      1.672730    1.437833    8.444354    24   196
   196  N      1.131051    2.074951    7.697526    24   195
   197  N     -5.443339   -4.194121    0.563671    24   198
   198  N     -4.763045   -4.985231    0.974082    24   197
   199  N      4.937335   -5.779651    2.442167    24   200
   200  N      3.926949   -5.714943    1.960482    24   199
   201  N     -4.704999    0.906321    8.279736    24   202
   202  N     -4.602651    1.543742    9.196420    24   201
   203  N      1.015913    6.776468   -2.090529    24   204
   204  N     -0.092195    6.934809   -2.026386    24   203
   205  N      8.969606   -6.457722   -7.707578    24   206
   206  N      7.993208   -6.208188   -8.198975    24   205
   207  N     -8.941350    5.330162   -4.855721    24   208
   208  N     -9.116620    4.676040   -3.962136    24   207
   209  N     -4.090943    1.985758    3.582918    24   210
   210  N     -4.963696    2.604191    3.246863    24   209
   211  N     -4.429313   -2.155381    4.493345    24   212
   212  N     -4.987751   -1.293755    4.943720    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.435163    3.580351    0.555725    24     2
     2  N     -7.935054    2.612786    0.289241    24     1
     3  N      8.373882   -0.234829   -1.676827    24     4
     4  N      8.675971    0.560083   -2.407543    24     3
     5  N     -2.511396   -1.737664   -2.443790    24     6
     6  N     -2.123138   -0.751170   -2.808720    24     5
     7  N      7.563493    8.756696    2.470693    24     8
     8  N      7.171407    8.796107    1.421024    24     7
     9  N     -1.102401    4.945036    8.481746    24    10
    10  N     -1.653648    4.209439    7.839785    24     9
    11  N     -2.244831   -8.127696    7.350513    24    12
    12  N     -1.485249   -8.944353    7.235645    24    11
    13  N      3.825171   -3.069382   -0.947759    24    14
    14  N      4.921102   -2.834135   -0.973902    24    13
    15  N     -2.821050    7.134932   -7.664498    24    16
    16  N     -2.930278    7.373926   -8.754471    24    15
    17  N     -6.010142   -8.837390   -8.856897    24    18
    18  N     -6.138775   -7.770438   -9.176517    24    17
    19  N      6.281777    6.565384    6.119600    24    20
    20  N      5.163360    6.511510    6.177297    24    19
    21  N     -4.308825    5.085789   -1.887065    24    22
    22  N     -3.201543    4.978056   -1.747744    24    21
    23  N      3.792088    8.169711   -4.566192    24    24
    24  N      3.373435    7.151070   -4.355973    24    23
    25  N     -0.645634    2.947639   -6.903071    24    26
    26  N     -0.308942    2.530336   -7.887747    24    25
    27  N     -1.382856   -1.242313   -5.889682    24    28
    28  N     -0.933665   -0.284190   -6.260244    24    27
    29  N      3.834646   -0.646460    1.491134    24    30
    30  N      3.857211    0.363981    1.976509    24    29
    31  N      3.190181    3.687477   -3.623242    24    32
    32  N      3.251767    4.240852   -2.650065    24    31
    33  N     -1.540077   -5.684328    0.203935    24    34
    34  N     -2.191514   -5.678739    1.116452    24    33
    35  N     -6.875954    2.353058    3.498074    24    36
    36  N     -7.219738    1.320372    3.228890    24    35
    37  N      8.422866   -3.447939    0.814511    24    38
    38  N      9.117196   -3.815014    0.014354    24    37
    39  N      2.646943    5.726762   -7.760517    24    40
    40  N      2.266213    4.692216   -7.965089    24    39
    41  N     -7.093828    8.377805   -5.700982    24    42
    42  N     -7.084775    7.932712   -4.671954    24    41
    43  N      7.773819   -4.456760   -3.240576    24    44
    44  N      7.484075   -4.273906   -4.308145    24    43
    45  N      7.285206    1.484255   -5.803734    24    46
    46  N      6.208785    1.390296   -5.504436    24    45
    47  N      7.504294   -9.234802   -5.010285    24    48
    48  N      6.894648   -8.296882   -5.085961    24    47
    49  N     -6.977191   -2.407856    8.110024    24    50
    50  N     -8.067649   -2.195269    7.959035    24    49
    51  N     -2.600128    8.818755    0.543522    24    52
    52  N     -2.637900    8.261916   -0.428894    24    51
    53  N      5.090943    7.887487   -1.318620    24    54
    54  N      5.062991    6.960763   -0.688152    24    53
    55  N      2.436794   -1.141830    5.555265    24    56
    56  N      1.556003   -1.817982    5.710556    24    55
    57  N      7.954761    6.284106   -8.455874    24    58
    58  N      8.993725    6.472088   -8.078643    24    57
    59  N     -3.026614    2.640068   -4.751048    24    60
    60  N     -4.046513    3.052435   -4.967493    24    59
    61  N      3.307194    3.650202    1.053807    24    62
    62  N      2.690774    4.537811    1.352585    24    61
    63  N     -5.191271    5.300962    7.405022    24    64
    64  N     -5.782001    6.190418    7.747067    24    63
    65  N      7.768755   -5.754101    6.357778    24    66
    66  N      8.502613   -4.920391    6.204581    24    65
    67  N     -0.992700   -4.743310   -5.771653    24    68
    68  N     -0.309783   -5.426882   -6.340375    24    67
    69  N     -1.036819    3.748688    4.812364    24    70
    70  N     -1.454376    3.390695    3.835340    24    69
    71  N      1.598635   -3.071902    1.786126    24    72
    72  N      2.284787   -3.886197    2.137139    24    71
    73  N      1.260275   -1.807066   -8.512106    24    74
    74  N      2.037415   -1.754725   -9.318583    24    73
    75  N     -2.052463    2.197674   -0.645382    24    76
    76  N     -1.340753    2.785052   -0.008559    24    75
    77  N      7.519585    0.458518    1.344621    24    78
    78  N      7.367931    0.637140    2.441063    24    77
    79  N      5.701244   -8.443314    5.844933    24    80
    80  N      5.066828   -8.254584    4.939954    24    79
    81  N     -5.349847    0.227073   -1.883099    24    82
    82  N     -5.213570    1.328833   -2.040087    24    81
    83  N     -0.431513    6.416347    1.730178    24    84
    84  N      0.283727    6.005665    2.489692    24    83
    85  N      8.469259   -8.171596   -1.211431    24    86
    86  N      8.418639   -7.180838   -0.689008    24    85
    87  N      0.789346    1.128258    3.323329    24    88
    88  N      0.435457    0.218698    2.771465    24    87
    89  N     -3.430141   -8.551444   -3.717946    24    90
    90  N     -2.334389   -8.762620   -3.609223    24    89
    91  N     -8.353290   -3.223244    3.757174    24    92
    92  N     -8.526080   -2.280143    4.338372    24    91
    93  N     -0.468959   -4.716194    5.018835    24    94
    94  N     -1.138996   -4.430608    4.166438    24    93
    95  N     -5.914804    4.667712   -7.543308    24    96
    96  N     -6.312295    5.238732   -6.664089    24    95
    97  N      4.846953   -2.039645   -7.232540    24    98
    98  N      5.215502   -3.083344   -7.053787    24    97
    99  N     -2.445255    0.572519    6.112374    24   100
   100  N     -1.491902    0.050972    5.836337    24    99
   101  N     -3.832700    5.123134    2.422893    24   102
   102  N     -4.655597    4.647062    1.828513    24   101
   103  N     -8.227250    2.619683   -8.559361    24   104
   104  N     -8.941132    3.309848   -8.038656    24   103
   105  N     -0.069210    3.135334   -3.490882    24   106
   106  N      0.256583    2.206746   -2.953599    24   105
   107  N      4.029879   -4.846527    4.698731    24   108
   108  N      3.877222   -5.499988    5.596937    24   107
   109  N      6.386371    3.187606   -1.359047    24   110
   110  N      6.119318    2.478495   -0.532650    24   109
   111  N     -4.783427   -0.999238   -7.250640    24   112
   112  N     -5.597571   -1.540197   -6.701438    24   111
   113  N     -6.150250   -6.618462   -2.448602    24   114
   114  N     -5.956035   -7.396188   -1.664693    24   113
   115  N      4.008989    6.943915    3.372343    24   116
   116  N      3.629840    7.848625    2.829358    24   115
   117  N      1.112506   -7.320875    3.501432    24   118
   118  N      1.529835   -7.812893    4.418407    24   117
   119  N      7.809263    4.082693    6.599372    24   120
   120  N      8.916116    4.222184    6.711216    24   119
   121  N     -4.153258   -6.611075    3.685443    24   122
   122  N     -3.607725   -7.222112    4.451025    24   121
   123  N     -1.989203   -2.385756    0.677862    24   124
   124  N     -2.662365   -2.356558    1.574015    24   123
   125  N      3.602542   -6.134492   -4.263883    24   126
   126  N      4.082652   -5.147967   -4.494865    24   125
   127  N     -3.701043   -6.206200   -7.384382    24   128
   128  N     -3.485010   -6.829798   -6.477991    24   127
   129  N     -6.241381   -4.560462   -5.711952    24   130
   130  N     -7.312287   -4.796569   -5.945410    24   129
   131  N      1.578095   -1.536605   -4.341191    24   132
   132  N      2.301119   -2.392980   -4.371994    24   131
   133  N     -8.504826    6.698014   -0.663850    24   134
   134  N     -9.141747    6.189864    0.106347    24   133
   135  N      1.364416   -8.144642   -2.975810    24   136
   136  N      0.782715   -8.179589   -3.933669    24   135
   137  N      5.600823    4.910008   -5.411407    24   138
   138  N      5.724279    5.761069   -6.130812    24   137
   139  N     -6.804826   -2.225621   -3.102401    24   140
   140  N     -6.527324   -2.970996   -2.312148    24   139
   141  N     -2.977790    7.343881    4.737163    24   142
   142  N     -2.550332    6.978409    5.707111    24   141
   143  N     -6.847939   -1.059473    1.196727    24   144
   144  N     -7.721868   -0.993987    0.497407    24   143
   145  N     -4.496606   -4.417123    7.308298    24   146
   146  N     -5.467010   -4.972882    7.227441    24   145
   147  N     -7.381937    1.321805   -5.814689    24   148
   148  N     -6.892562    1.175468   -4.816598    24   147
   149  N      5.977788   -1.942524    4.631196    24   150
   150  N      5.267373   -1.171843    4.233137    24   149
   151  N      4.740711    1.237745    8.873837    24   152
   152  N      4.153939    0.398097    8.418013    24   151
   153  N      5.389397    8.836261   -9.085365    24   154
   154  N      4.956796    9.065711   -8.076753    24   153
   155  N     -7.703509    6.373903    3.518488    24   156
   156  N     -8.718973    5.903293    3.451784    24   155
   157  N     -9.404597   -6.186935    2.888309    24   158
   158  N     -8.444386   -6.389710    3.430496    24   157
   159  N      1.433389   -8.594887   -7.510723    24   160
   160  N      0.499418   -9.205521   -7.619885    24   159
   161  N      0.471374   -4.712106    8.654333    24   162
   162  N      1.268345   -5.436580    8.965884    24   161
   163  N      0.927139    7.147877    5.789809    24   164
   164  N      1.274382    6.917407    6.830672    24   163
   165  N     -2.902105   -5.100456   -2.722045    24   166
   166  N     -3.347377   -4.654767   -3.649505    24   165
   167  N      6.764116   -2.402929    8.008896    24   168
   168  N      7.114069   -1.344977    8.132833    24   167
   169  N     -2.204888   -3.028106   -8.697399    24   170
   170  N     -2.142551   -2.318568   -9.563284    24   169
   171  N      4.523257    0.391681   -2.859474    24   172
   172  N      3.540659    0.504799   -2.331464    24   171
   173  N      4.831544    2.593132    5.193916    24   174
   174  N      5.014992    3.047607    4.185508    24   173
   175  N      8.615567   -1.739076   -5.627424    24   176
   176  N      9.488730   -1.590024   -6.314780    24   175
   177  N      1.239930   -0.490915   -0.266382    24   178
   178  N      0.448276   -0.934008   -0.925201    24   177
   179  N      8.777093   -8.842082    8.133332    24   180
   180  N      8.205887   -8.096725    8.745914    24   179
   181  N      0.880824   -4.317944   -1.684889    24   182
   182  N      0.482337   -4.461449   -2.723016    24   181
   183  N     -5.614693    8.639255    1.890946    24   184
   184  N     -6.430751    9.311868    2.263413    24   183
   185  N     -7.489319   -9.191059    5.459566    24   186
   186  N     -6.508023   -8.997517    5.966211    24   185
   187  N      2.412704    1.603330   -6.222338    24   188
   188  N      2.788112    0.565453   -6.419744    24   187
   189  N      9.439845    1.043946    6.041303    24   190
   190  N      8.325841    0.919617    6.066346    24   189
   191  N     -1.417314    6.420841   -4.104265    24   192
   192  N     -0.542683    6.694195   -4.750320    24   191
   193  N      2.013096   -7.944839    0.284875    24   194
   194  N      2.925845   -7.313124    0.442719    24   193
   195  N      1.530119    2.720099    7.046966    24   196
   196  N      1.231690    1.710148    7.431709    24   195
   197  N     -5.994608   -4.967812    1.150972    24   198
   198  N     -5.097785   -4.317034    0.979835    24   197
   199  N      5.568783   -5.961670    2.130508    24   200
   200  N      5.717158   -4.852359    2.063402    24   199
   201  N     -4.537641    1.737051   -8.522392    24   202
   202  N     -3.715429    2.494164   -8.433861    24   201
   203  N      1.641847    6.946275   -0.727042    24   204
   204  N      0.844077    6.669406   -1.464603    24   203
   205  N      8.440092   -5.082085   -8.731784    24   206
   206  N      8.148103   -5.071520   -7.649324    24   205
   207  N     -8.742403    3.996451   -4.135143    24   208
   208  N     -9.251662    4.715782   -3.442100    24   207
   209  N     -3.800889    1.100687    2.658292    24   210
   210  N     -4.331547    0.819181    1.711590    24   209
   211  N     -4.638000   -1.870744    5.218173    24   212
   212  N     -4.893156   -0.940711    4.646313    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.806014    3.796422    0.235896    24     2
     2  N     -7.771200    3.434918   -0.205485    24     1
     3  N      7.501703   -0.383395   -2.053046    24     4
     4  N      8.481044   -0.546892   -2.573862    24     3
     5  N     -3.035637   -1.263460   -1.491612    24     6
     6  N     -2.555206   -1.054318   -2.482841    24     5
     7  N      6.686321    5.466959    3.562330    24     8
     8  N      7.772959    5.597032    3.318631    24     7
     9  N     -0.935466    6.783430    6.916101    24    10
    10  N     -1.076668    5.769642    7.373689    24     9
    11  N     -1.532294   -8.142821    6.997115    24    12
    12  N     -2.158026   -8.486512    7.861652    24    11
    13  N      3.158153   -3.367473   -1.986095    24    14
    14  N      3.692910   -4.245823   -1.539301    24    13
    15  N     -2.813599    7.059967   -8.280752    24    16
    16  N     -2.747933    7.847385   -7.485296    24    15
    17  N     -6.712760   -8.520986   -7.565654    24    18
    18  N     -6.255863   -9.127263   -8.390737    24    17
    19  N      4.883729    6.071512    6.994997    24    20
    20  N      5.711909    6.723781    6.613222    24    19
    21  N     -6.532688    5.787540   -2.563738    24    22
    22  N     -5.412602    5.836253   -2.574863    24    21
    23  N      3.541445    7.564074   -4.420024    24    24
    24  N      2.825959    7.256640   -5.226656    24    23
    25  N     -1.386848    3.651750   -8.224321    24    26
    26  N     -1.581716    2.571938   -8.454801    24    25
    27  N     -1.787121   -0.813444   -5.756131    24    28
    28  N     -2.805305   -0.968460   -6.199256    24    27
    29  N      5.309700    1.053885    0.734856    24    30
    30  N      5.205529   -0.046229    0.545163    24    29
    31  N      3.647470    4.372139   -3.013519    24    32
    32  N      2.651163    4.642646   -2.576155    24    31
    33  N     -1.025414   -7.162022    0.482017    24    34
    34  N     -1.369935   -6.968889    1.531348    24    33
    35  N     -6.329346    1.621179    5.729736    24    36
    36  N     -5.321589    1.270937    5.384996    24    35
    37  N      7.781148   -3.436906    0.204195    24    38
    38  N      8.744616   -2.872713    0.306691    24    37
    39  N      2.215014    3.986329   -9.518208    24    40
    40  N      2.456280    4.656566   -8.652378    24    39
    41  N     -9.057144   -8.792170   -3.790868    24    42
    42  N     -8.027441   -9.235367   -3.771483    24    41
    43  N      7.637146   -4.866610   -3.400570    24    44
    44  N      6.524155   -4.942440   -3.512775    24    43
    45  N      7.298089    0.157986   -5.905940    24    46
    46  N      6.865890    1.191616   -5.949570    24    45
    47  N      6.690289    8.374866   -5.999467    24    48
    48  N      6.453688    8.992872   -5.094383    24    47
    49  N     -7.077619   -1.616875    7.576248    24    50
    50  N     -7.567909   -1.945225    8.529606    24    49
    51  N     -3.250150    8.869521   -0.913346    24    52
    52  N     -2.324402    8.402370   -1.339784    24    51
    53  N      4.637106    7.314502   -1.052502    24    54
    54  N      5.561219    6.680063   -1.076821    24    53
    55  N      1.804179   -1.294089    5.696208    24    56
    56  N      1.911226   -1.100464    6.795362    24    55
    57  N      8.652415    7.078472   -8.612407    24    58
    58  N      9.433592    7.042044   -7.808963    24    57
    59  N     -3.441265    3.822491   -4.682828    24    60
    60  N     -3.650133    2.741650   -4.895542    24    59
    61  N      3.737555    4.048876    0.783144    24    62
    62  N      3.072026    4.181021    1.675725    24    61
    63  N     -6.160097    5.806767    7.728700    24    64
    64  N     -5.584803    4.951112    7.288267    24    63
    65  N      8.014995   -4.502569    5.462984    24    66
    66  N      8.887200   -4.370006    6.154920    24    65
    67  N      0.407081   -4.392171   -6.385186    24    68
    68  N     -0.597374   -3.982174   -6.102229    24    67
    69  N     -2.944896    3.633774    4.913207    24    70
    70  N     -1.859767    3.566355    4.639274    24    69
    71  N      1.655382   -3.206486    2.473800    24    72
    72  N      2.158656   -2.714400    1.601070    24    71
    73  N      0.339549   -1.026892   -8.407598    24    74
    74  N      0.885681   -0.049555   -8.467964    24    73
    75  N     -0.200280    3.186720    0.201917    24    76
    76  N     -0.039604    4.110264   -0.413174    24    75
    77  N      8.504904    1.298373    1.793639    24    78
    78  N      9.534533    1.378728    2.230098    24    77
    79  N      5.440800   -7.669475    5.958030    24    80
    80  N      5.094599   -8.631801    5.498504    24    79
    81  N     -4.292259    2.360255   -0.609493    24    82
    82  N     -3.608478    2.047581   -1.441219    24    81
    83  N      0.251437    6.597393    2.614030    24    84
    84  N      0.279419    6.144749    3.639417    24    83
    85  N      7.590817   -7.754330   -1.116561    24    86
    86  N      7.982305   -7.253150   -0.193174    24    85
    87  N      1.982283    1.007611    2.834995    24    88
    88  N      0.902212    0.952584    3.130814    24    87
    89  N     -4.592989   -8.412063   -4.603045    24    90
    90  N     -4.603397   -9.518546   -4.422272    24    89
    91  N     -7.798663   -2.129910    3.423037    24    92
    92  N     -7.388557   -1.309025    4.067281    24    91
    93  N     -0.764261   -4.440530    5.302514    24    94
    94  N     -0.946095   -3.409286    4.901811    24    93
    95  N     -5.875612    5.933472   -6.316251    24    96
    96  N     -6.311116    4.900562   -6.339123    24    95
    97  N      4.481023   -3.401597   -8.029190    24    98
    98  N      4.828721   -3.537840   -6.972009    24    97
    99  N     -3.010085    0.628336    7.610300    24   100
   100  N     -2.187791    0.642239    6.848244    24    99
   101  N     -3.242704    5.433510    0.596272    24   102
   102  N     -2.911332    4.967882    1.560882    24   101
   103  N     -9.209371    2.711667   -7.917320    24   104
   104  N     -9.013053    3.727892   -7.486234    24   103
   105  N      0.128108    2.118832   -2.982263    24   106
   106  N     -0.283829    1.958746   -4.012685    24   105
   107  N      4.090372   -3.990882    6.710003    24   108
   108  N      4.650796   -3.035854    6.534119    24   107
   109  N      6.351093    3.069115   -1.340221    24   110
   110  N      7.131903    3.650347   -0.783811    24   109
   111  N     -4.900506   -2.882116   -6.746237    24   112
   112  N     -5.198263   -2.480153   -7.749658    24   111
   113  N     -6.082557   -6.967801   -1.766685    24   114
   114  N     -5.207677   -6.534002   -1.215784    24   113
   115  N      3.604919    7.985755    1.980686    24   116
   116  N      3.858989    7.228106    2.767137    24   115
   117  N      1.675704   -7.464192    4.079077    24   118
   118  N      2.545680   -6.852883    4.434788    24   117
   119  N      8.452625    3.620066    5.859742    24   120
   120  N      9.101927    3.840357    6.746855    24   119
   121  N     -4.634344   -6.142016    4.238295    24   122
   122  N     -3.768414   -6.846757    4.135360    24   121
   123  N     -2.839607   -3.383233    1.880518    24   124
   124  N     -2.668530   -3.681493    0.813342    24   123
   125  N      3.227087   -6.560883   -4.939808    24   126
   126  N      3.729754   -6.967801   -4.023929    24   125
   127  N     -3.185483   -7.136101   -7.238425    24   128
   128  N     -2.101069   -6.869625   -7.137793    24   127
   129  N     -6.292509   -5.611260   -6.289652    24   130
   130  N     -6.321295   -5.860694   -5.196929    24   129
   131  N      1.195480   -1.449746   -4.149915    24   132
   132  N      1.882826   -1.529291   -5.032138    24   131
   133  N     -8.836520    6.641961    0.584277    24   134
   134  N     -9.134036    7.678669    0.277992    24   133
   135  N     -0.069960   -7.440774   -3.809820    24   136
   136  N     -0.064456   -8.204054   -4.631077    24   135
   137  N      6.312175    4.874626   -6.077941    24   138
   138  N      5.495935    4.618881   -6.802811    24   137
   139  N     -6.685569   -2.367743   -3.524372    24   140
   140  N     -6.339921   -3.240031   -2.910586    24   139
   141  N     -3.067754    8.332911    4.836198    24   142
   142  N     -2.655402    7.585495    4.109269    24   141
   143  N     -5.284784   -1.194053    1.120348    24   144
   144  N     -5.790148   -1.303268    0.125477    24   143
   145  N     -5.235741   -4.926368    7.732668    24   146
   146  N     -6.016476   -5.400687    7.082618    24   145
   147  N     -7.451111    1.127607   -4.085285    24   148
   148  N     -6.752731    1.156957   -3.208647    24   147
   149  N      6.302686   -2.015311    3.196896    24   150
   150  N      5.241813   -2.347612    3.342542    24   149
   151  N      5.396534    1.921152    8.740680    24   152
   152  N      5.986905    2.864253    8.602440    24   151
   153  N      3.910877   -8.810285    8.672249    24   154
   154  N      4.706993   -8.442687    9.370935    24   153
   155  N     -6.843336    5.292865    4.131730    24   156
   156  N     -6.839191    4.544910    3.296483    24   155
   157  N      9.143866   -8.718259    3.044322    24   158
   158  N      8.421174   -7.966471    3.456171    24   157
   159  N      1.095684    9.009064   -7.990326    24   160
   160  N      0.528715    8.114962   -8.359403    24   159
   161  N      1.105489   -5.407662    8.229705    24   162
   162  N      1.407707   -6.374383    8.710542    24   161
   163  N      2.253164    8.154576    6.595086    24   164
   164  N      1.985847    7.835226    5.554102    24   163
   165  N     -3.426542   -4.125709   -4.105202    24   166
   166  N     -3.400578   -5.231490   -3.921732    24   165
   167  N      7.695252   -2.762287   -8.579349    24   168
   168  N      7.589598   -1.804104   -9.151898    24   167
   169  N     -2.257110   -3.571883    8.705216    24   170
   170  N     -2.557248   -2.493651    8.638721    24   169
   171  N      4.304142    0.334793   -2.722336    24   172
   172  N      3.255720    0.719688   -2.623575    24   171
   173  N      5.300915    2.776356    4.926020    24   174
   174  N      5.848972    2.491887    3.990179    24   173
   175  N     -8.876421   -2.553840   -5.764342    24   176
   176  N     -8.180307   -2.076054   -6.502065    24   175
   177  N      1.267969   -0.312152   -0.375148    24   178
   178  N      0.352988   -0.742943   -0.859214    24   177
   179  N      7.865777   -8.159199    8.093805    24   180
   180  N      8.656059   -8.177438    7.298688    24   179
   181  N     -0.167867   -3.838837   -2.548927    24   182
   182  N     -0.165757   -3.764179   -1.430216    24   181
   183  N     -5.696823    8.378113    1.538639    24   184
   184  N     -5.603163    9.434979    1.901064    24   183
   185  N     -7.147937    8.312242    5.735179    24   186
   186  N     -6.536762    9.103285    5.227434    24   185
   187  N      2.773616    2.210711   -6.717975    24   188
   188  N      2.389412    2.408861   -5.683465    24   187
   189  N      8.147694    0.282984    6.275977    24   190
   190  N      7.604110   -0.098735    5.372707    24   189
   191  N     -0.237696    5.523720   -4.481609    24   192
   192  N     -0.752376    6.495836   -4.264387    24   191
   193  N      2.204091   -7.218752   -0.000416    24   194
   194  N      2.424688   -6.212491    0.442151    24   193
   195  N      1.940070    3.870953    5.204309    24   196
   196  N      1.952149    2.847654    5.662350    24   195
   197  N     -7.824743   -5.462475    2.145599    24   198
   198  N     -7.079790   -4.790538    1.644960    24   197
   199  N      5.557742   -5.394052    1.885836    24   200
   200  N      5.152447   -6.079582    2.675060    24   199
   201  N     -5.655470    1.764549   -8.832102    24   202
   202  N     -5.424729    1.037850   -8.010057    24   201
   203  N      1.265265    8.135412   -1.720286    24   204
   204  N      1.281784    7.979708   -0.610073    24   203
   205  N      7.698271   -6.419645   -6.847925    24   206
   206  N      8.539052   -6.913120   -7.401692    24   205
   207  N      9.077526    4.756328   -4.354354    24   208
   208  N      8.768620    3.695115   -4.165953    24   207
   209  N     -2.573630    0.275955    2.845921    24   210
   210  N     -1.986594    0.148565    1.899216    24   209
   211  N     -4.381971   -2.628441    4.476090    24   212
   212  N     -4.173731   -1.988583    5.372922    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.852512    2.226989    0.082014    24     2
     2  N     -6.516279    2.173561   -0.986246    24     1
     3  N      9.072674   -0.315956   -2.058240    24     4
     4  N      8.279155    0.378672   -1.677571    24     3
     5  N     -3.431810   -2.157012   -1.254056    24     6
     6  N     -2.359129   -1.899238   -1.454050    24     5
     7  N      8.622875    6.710139    2.183747    24     8
     8  N      7.805664    6.116575    2.670508    24     7
     9  N     -2.176050    4.808069    7.466337    24    10
    10  N     -1.412372    5.217374    6.754751    24     9
    11  N     -3.366649   -6.802469    7.396003    24    12
    12  N     -3.216908   -7.581016    6.603203    24    11
    13  N      4.263094   -4.112060   -0.463419    24    14
    14  N      4.888909   -3.188691   -0.350129    24    13
    15  N     -3.245171    6.052055   -7.758324    24    16
    16  N     -3.036660    7.152537   -7.707816    24    15
    17  N     -5.485428   -8.506286    8.971417    24    18
    18  N     -6.034608   -7.530875    9.035179    24    17
    19  N      4.909835    6.564984    9.435761    24    20
    20  N      4.851262    7.258050    8.556376    24    19
    21  N     -4.823776    5.605102   -1.976149    24    22
    22  N     -5.436220    4.867410   -2.557364    24    21
    23  N      2.795150    6.629182   -5.805122    24    24
    24  N      2.774117    7.333757   -4.933215    24    23
    25  N     -2.004129    2.258363   -8.552387    24    26
    26  N     -1.444241    3.120894   -8.105561    24    25
    27  N     -2.339791   -1.959006   -5.999291    24    28
    28  N     -2.568494   -1.522784   -4.992070    24    27
    29  N      4.683189    0.143125    0.302110    24    30
    30  N      5.732982    0.484797    0.497767    24    29
    31  N      3.572624    4.854001   -2.097620    24    32
    32  N      3.470309    4.104573   -2.925255    24    31
    33  N     -0.957986   -8.527705    1.657513    24    34
    34  N     -0.791512   -7.441931    1.432858    24    33
    35  N     -6.391209    1.176359    5.715968    24    36
    36  N     -5.859717    2.078577    5.315208    24    35
    37  N      8.008155   -1.781561    0.690650    24    38
    38  N      8.618514   -2.106207    1.573349    24    37
    39  N      1.442739    5.383097    8.305318    24    40
    40  N      1.056622    5.552196    9.344264    24    39
    41  N     -9.187893   -8.042190   -3.752994    24    42
    42  N     -8.350529   -7.970064   -3.010896    24    41
    43  N      6.995090   -3.278705   -2.734768    24    44
    44  N      6.549907   -2.369062   -3.215864    24    43
    45  N      5.228939    0.054858   -7.246259    24    46
    46  N      5.738885    0.398801   -6.308843    24    45
    47  N      6.542356    8.182603   -5.021909    24    48
    48  N      6.796664    7.774582   -6.034793    24    47
    49  N     -6.263313   -1.318301    7.823329    24    50
    50  N     -7.274245   -1.803160    7.819458    24    49
    51  N     -2.553143   -8.720008   -1.848026    24    52
    52  N     -3.550358   -8.229132   -1.700743    24    51
    53  N      5.157577    7.445618   -1.306949    24    54
    54  N      5.963050    7.527362   -0.531306    24    53
    55  N      1.770716    0.025773    5.972788    24    56
    56  N      1.721890   -1.087674    6.095024    24    55
    57  N      8.011617    5.048593   -7.714626    24    58
    58  N      8.022109    5.916549   -8.424295    24    57
    59  N     -3.256392    3.595580   -5.404944    24    60
    60  N     -3.943169    2.797912   -5.791145    24    59
    61  N      3.640969    4.570752    1.717568    24    62
    62  N      4.591022    5.039801    1.350847    24    61
    63  N     -4.833418    3.615213    8.271794    24    64
    64  N     -5.813708    4.066506    7.967727    24    63
    65  N      7.595391   -5.459119    5.364650    24    66
    66  N      8.300670   -4.745719    5.865382    24    65
    67  N      0.078325   -5.299273   -6.235292    24    68
    68  N      0.146797   -5.354085   -7.353057    24    67
    69  N     -1.993495    2.892623    2.406152    24    70
    70  N     -2.990359    3.396545    2.503170    24    69
    71  N      2.835185   -2.553988    2.417282    24    72
    72  N      2.190748   -1.638135    2.472103    24    71
    73  N      0.505291   -1.492260   -8.902089    24    74
    74  N      1.004346   -0.731079   -8.247384    24    73
    75  N      0.760149    3.531218   -0.223575    24    76
    76  N      0.193675    4.496423   -0.155941    24    75
    77  N     -8.381635    1.342616    2.825478    24    78
    78  N     -9.091001    2.195709    2.987094    24    77
    79  N      4.828179   -6.697263    6.336209    24    80
    80  N      5.206841   -7.489168    5.638650    24    79
    81  N     -3.334026    1.622912   -0.624294    24    82
    82  N     -2.998338    2.352901   -1.406293    24    81
    83  N      0.542375    6.056356    3.460780    24    84
    84  N     -0.577359    6.030257    3.409751    24    83
    85  N      8.075638   -7.806186   -0.502553    24    86
    86  N      8.927489   -7.830763    0.226030    24    85
    87  N      0.929167    1.590518    2.990990    24    88
    88  N      1.609539    2.363366    2.547267    24    87
    89  N     -4.261798    9.496647   -4.833308    24    90
    90  N     -4.860008    8.637599   -5.234895    24    89
    91  N     -7.648855   -2.613240    4.264396    24    92
    92  N     -8.314372   -1.721421    4.401631    24    91
    93  N     -0.902217   -4.388986    4.093391    24    94
    94  N     -0.420978   -3.410777    4.355319    24    93
    95  N     -7.630213    5.142989   -6.506509    24    96
    96  N     -6.628526    5.277414   -6.991940    24    95
    97  N      3.867115   -3.533921   -7.042198    24    98
    98  N      3.017858   -2.805288   -6.971869    24    97
    99  N     -1.764462    0.495642    6.482090    24   100
   100  N     -1.860216    1.611522    6.429814    24    99
   101  N     -3.298695    6.846531    0.781875    24   102
   102  N     -4.319877    6.700830    1.221249    24   101
   103  N     -9.001167    1.275380   -8.123751    24   104
   104  N     -8.838098    2.321145   -8.493713    24   103
   105  N     -0.190503    2.382766   -3.698425    24   106
   106  N     -0.625220    2.158347   -4.707260    24   105
   107  N      3.312960   -3.408674    7.821342    24   108
   108  N      2.460179   -4.012845    7.415346    24   107
   109  N      7.663088    3.872737   -1.029515    24   110
   110  N      6.618351    4.089457   -1.373961    24   109
   111  N     -5.050154   -3.050914   -7.503985    24   112
   112  N     -5.663417   -3.817801   -8.045171    24   111
   113  N     -6.149283   -6.118590   -0.663901    24   114
   114  N     -6.087999   -6.330303   -1.763224    24   113
   115  N      4.904523    8.368726    2.511016    24   116
   116  N      5.570180    9.262191    2.385684    24   115
   117  N      2.338340   -7.962187    3.729430    24   118
   118  N      2.118676   -6.957538    3.282755    24   117
   119  N     -8.537132    4.275057    6.305889    24   120
   120  N     -8.855022    4.853135    7.212455    24   119
   121  N     -3.909606   -6.970435    3.263251    24   122
   122  N     -4.443528   -6.135588    3.787701    24   121
   123  N     -2.755882   -4.462551    0.797475    24   124
   124  N     -2.662643   -5.143085   -0.088679    24   123
   125  N      3.949004   -6.767294   -4.470922    24   126
   126  N      2.840862   -6.773752   -4.641425    24   125
   127  N     -3.109766   -6.108796   -6.981329    24   128
   128  N     -2.720847   -6.572639   -7.925089    24   127
   129  N     -6.773576   -6.639556   -5.728221    24   130
   130  N     -6.828730   -5.546294   -5.485679    24   129
   131  N      1.674568   -0.632809   -4.884168    24   132
   132  N      0.596192   -0.939599   -4.875579    24   131
   133  N     -8.383436    6.246311   -1.110000    24   134
   134  N     -8.904439    6.978957   -1.779980    24   133
   135  N     -0.545514   -8.390367   -4.102767    24   136
   136  N      0.213123   -9.187529   -3.888075    24   135
   137  N      5.720025    4.828526   -4.988945    24   138
   138  N      5.528962    3.973302   -5.688357    24   137
   139  N     -7.790673   -3.022283   -2.994638    24   140
   140  N     -7.340351   -3.553422   -2.115893    24   139
   141  N     -3.279440    7.465781    5.320536    24   142
   142  N     -3.583668    7.964933    4.363780    24   141
   143  N     -5.694352   -0.901428    1.201392    24   144
   144  N     -5.012199   -1.652255    1.678901    24   143
   145  N     -7.040957   -5.472538    6.343467    24   146
   146  N     -6.083961   -4.888438    6.334756    24   145
   147  N     -5.869213    0.199812   -3.700311    24   148
   148  N     -4.840755    0.184126   -3.254084    24   147
   149  N      6.314447   -1.647482    4.736455    24   150
   150  N      5.682455   -2.564388    4.606225    24   149
   151  N      4.610611    2.948866    8.137508    24   152
   152  N      5.320282    2.317958    8.733670    24   151
   153  N      4.593346   -7.225184   -8.649949    24   154
   154  N      4.002315   -7.219773   -7.697194    24   153
   155  N     -6.605572    4.637768    3.066953    24   156
   156  N     -6.272017    5.354431    3.862080    24   155
   157  N      8.951874   -8.164824    4.171237    24   158
   158  N      8.110616   -8.755413    4.619096    24   157
   159  N      0.123545   -8.637442   -7.744931    24   160
   160  N      0.150255   -9.149783   -8.741868    24   159
   161  N      0.197289   -6.642606    7.589892    24   162
   162  N     -0.076476   -6.481375    6.514650    24   161
   163  N      2.100593    8.085462    5.988173    24   164
   164  N      1.003079    8.302661    6.061504    24   163
   165  N     -2.587000   -4.797846   -3.670160    24   166
   166  N     -3.667762   -4.499647   -3.659195    24   165
   167  N      7.344305   -2.151902    9.462250    24   168
   168  N      7.453476   -2.405333    8.375539    24   167
   169  N     -1.734420   -3.065034    7.816377    24   170
   170  N     -2.320063   -3.455083    8.689287    24   169
   171  N      4.574497    0.576769   -2.946134    24   172
   172  N      5.324719    1.400105   -2.818186    24   171
   173  N      4.838776    1.761475    3.744432    24   174
   174  N      5.562920    2.575938    3.481080    24   173
   175  N     -8.791756   -2.166038   -6.318070    24   176
   176  N     -9.042760   -1.330261   -5.614107    24   175
   177  N      0.432686   -0.364691   -0.815459    24   178
   178  N      1.183188   -1.129846   -0.486258    24   177
   179  N      8.176501   -8.092685    8.967664    24   180
   180  N      8.704923   -8.158472    7.980987    24   179
   181  N      1.283206   -5.001366   -2.421674    24   182
   182  N      0.586105   -5.662585   -1.843807    24   181
   183  N     -6.678776   -9.193162    0.983874    24   184
   184  N     -6.506478   -8.965479    2.068108    24   183
   185  N     -7.521862    7.437317    6.177893    24   186
   186  N     -6.945779    8.398289    6.219746    24   185
   187  N      2.775147    2.654526   -6.889612    24   188
   188  N      1.800846    2.450448   -7.405536    24   187
   189  N      7.497355    1.170578    6.142095    24   190
   190  N      8.541536    0.991059    6.508904    24   189
   191  N     -1.116732    5.834803   -4.191419    24   192
   192  N     -1.861241    6.470295   -4.738180    24   191
   193  N      4.594623   -7.719073   -1.012819    24   194
   194  N      3.907656   -7.502248   -0.153661    24   193
   195  N      4.130584    5.585421    5.168090    24   196
   196  N      3.174316    5.009337    5.271862    24   195
   197  N     -8.412300   -5.247515    2.142423    24   198
   198  N     -7.313837   -5.451643    2.236240    24   197
   199  N      5.884716   -5.827827    2.480116    24   200
   200  N      6.539280   -5.058350    1.993763    24   199
   201  N     -5.376677    0.634597   -8.009935    24   202
   202  N     -5.310799    0.161983   -6.995348    24   201
   203  N      1.784564    8.482045    0.104511    24   204
   204  N      1.338952    7.494015   -0.182395    24   203
   205  N      7.238289   -4.718076   -6.197408    24   206
   206  N      7.914322   -5.556969   -5.887037    24   205
   207  N     -8.786621    2.599214   -4.110302    24   208
   208  N     -8.630214    2.148844   -5.125089    24   207
   209  N     -1.422647   -0.851391    2.012430    24   210
   210  N     -2.177550   -0.308516    2.638927    24   209
   211  N     -4.314562   -1.339024    5.458465    24   212
   212  N     -3.539899   -2.139812    5.333063    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.188379    3.715608   -0.410319    24     2
     2  N     -6.454142    2.952969    0.367395    24     1
     3  N      9.388335   -0.028469   -1.714961    24     4
     4  N      8.675677    0.837029   -1.725858    24     3
     5  N     -2.308960   -2.507553   -2.907110    24     6
     6  N     -1.211718   -2.701630   -2.782672    24     5
     7  N      8.446476    5.417828    1.745127    24     8
     8  N      9.549560    5.253713    1.629532    24     7
     9  N     -0.864413    4.392727    6.347287    24    10
    10  N     -0.192022    3.941869    5.571589    24     9
    11  N     -3.245554   -6.496385    5.655152    24    12
    12  N     -2.440288   -7.261348    5.808342    24    11
    13  N      4.022518   -2.935810    0.437329    24    14
    14  N      3.064521   -2.808104   -0.131021    24    13
    15  N     -2.603974    6.704531   -7.739843    24    16
    16  N     -3.502648    7.001649   -7.138849    24    15
    17  N     -6.199038   -9.385742   -7.286527    24    18
    18  N     -6.682524   -8.422995   -7.597090    24    17
    19  N      3.716722    8.038307    8.141362    24    20
    20  N      3.345760    8.051467    9.199333    24    19
    21  N     -3.527935    5.757941   -1.779616    24    22
    22  N     -3.908993    4.968492   -2.478654    24    21
    23  N      2.839085    6.806870   -6.030490    24    24
    24  N      2.213423    7.387139   -5.303218    24    23
    25  N     -1.118550    1.960930    8.478571    24    26
    26  N     -1.141084    1.072006    9.161502    24    25
    27  N     -2.478330   -2.811169   -6.398928    24    28
    28  N     -1.562696   -2.259623   -6.737303    24    27
    29  N      4.009925    1.176923    0.294433    24    30
    30  N      4.915016    0.629605    0.666374    24    29
    31  N      3.482157    4.953518   -2.235408    24    32
    32  N      2.925530    4.686509   -3.171337    24    31
    33  N      0.070030   -7.665211    3.408561    24    34
    34  N     -0.160706   -8.603809    2.840331    24    33
    35  N     -6.514453    1.187460    5.354030    24    36
    36  N     -5.581041    0.884711    4.811652    24    35
    37  N      7.268314   -2.541682    0.412266    24    38
    38  N      8.101229   -1.849559    0.702623    24    37
    39  N      0.291461    5.907524   -9.338667    24    40
    40  N      0.788233    5.086799   -8.758393    24    39
    41  N     -8.581873   -8.349618   -4.807059    24    42
    42  N     -8.878630   -8.498734   -3.736176    24    41
    43  N      6.370942   -1.671334   -3.319456    24    44
    44  N      5.634502   -2.120040   -2.602930    24    43
    45  N      6.235411    0.601852   -6.275722    24    46
    46  N      5.309470   -0.028412   -6.325624    24    45
    47  N      6.884357    8.171275   -6.539884    24    48
    48  N      6.239601    8.424942   -7.421378    24    47
    49  N     -8.087532   -2.591633    8.217901    24    50
    50  N     -7.857343   -1.510849    8.028144    24    49
    51  N     -2.211635   -9.206783   -0.906183    24    52
    52  N     -3.295243   -8.924622   -0.963345    24    51
    53  N      6.594780    7.842691   -2.979696    24    54
    54  N      6.028367    7.360281   -2.140920    24    53
    55  N      3.020698    0.062348    6.595303    24    56
    56  N      2.334008    0.904164    6.318007    24    55
    57  N      8.807163    5.813660    8.892825    24    58
    58  N      7.731905    5.520253    9.014567    24    57
    59  N     -3.810680    2.870483   -5.792643    24    60
    60  N     -4.005258    3.933516   -5.493996    24    59
    61  N      4.402787    5.452695    1.452158    24    62
    62  N      5.048147    4.549768    1.293017    24    61
    63  N     -4.088298    3.707395    8.452263    24    64
    64  N     -4.462605    4.298188    7.575937    24    63
    65  N      8.195447   -4.899320    6.619159    24    66
    66  N      7.808376   -5.904391    6.307554    24    65
    67  N      1.019061   -5.432133   -6.304634    24    68
    68  N      0.398028   -5.160171   -5.411636    24    67
    69  N     -3.103417    2.173280    2.981045    24    70
    70  N     -3.381060    2.343268    1.908147    24    69
    71  N      1.631342   -1.066078    2.895085    24    72
    72  N      1.910492   -1.401232    3.927963    24    71
    73  N      0.639464   -2.308614    9.140107    24    74
    74  N      1.463323   -1.549371    9.096562    24    73
    75  N      0.296839    4.794111    0.007914    24    76
    76  N     -0.648083    4.191147    0.033348    24    75
    77  N      7.799554    1.283553    2.492386    24    78
    78  N      8.402886    1.901137    1.777076    24    77
    79  N      3.250157   -7.414526    5.084113    24    80
    80  N      3.992955   -7.761682    5.848850    24    79
    81  N     -3.427461    1.168616   -2.538747    24    82
    82  N     -4.009747    1.469226   -1.628985    24    81
    83  N      1.112398    6.441336    3.145182    24    84
    84  N      0.611896    6.766762    4.094225    24    83
    85  N      7.660182   -9.617443    0.569328    24    86
    86  N      7.944095   -8.566481    0.837583    24    85
    87  N      1.495974    2.439823    2.970719    24    88
    88  N      0.473900    2.485007    2.512011    24    87
    89  N     -4.931266    8.516696   -4.221488    24    90
    90  N     -3.915714    8.122145   -3.956772    24    89
    91  N     -9.105007   -1.989003    4.215528    24    92
    92  N     -8.313184   -1.310018    3.804330    24    91
    93  N     -0.698395   -3.280926    3.565649    24    94
    94  N     -0.741841   -4.227250    4.165376    24    93
    95  N     -7.409847    6.202563   -5.494349    24    96
    96  N     -7.261432    5.456277   -6.317829    24    95
    97  N      4.221792   -3.659853   -6.700088    24    98
    98  N      3.958096   -4.336784   -5.846086    24    97
    99  N     -1.467230   -0.280761    5.556173    24   100
   100  N     -1.189826    0.776670    5.307225    24    99
   101  N     -2.425647    6.380705    1.238739    24   102
   102  N     -3.107411    7.001535    1.876594    24   101
   103  N     -8.779789    2.617787   -8.044080    24   104
   104  N     -7.810723    2.338515   -8.533984    24   103
   105  N      0.059902    2.807633   -3.296858    24   106
   106  N     -0.928333    3.191098   -3.662144    24   105
   107  N      3.366641   -3.518508    6.018912    24   108
   108  N      3.391426   -4.181435    6.922793    24   107
   109  N      6.985329    3.983006   -1.295340    24   110
   110  N      6.555971    3.649785   -2.276005    24   109
   111  N     -5.223634   -4.011353   -8.075810    24   112
   112  N     -4.825592   -5.005303   -8.408549    24   111
   113  N     -6.583348   -8.113293   -0.541198    24   114
   114  N     -6.312104   -7.949935   -1.616759    24   113
   115  N      4.402061    9.232463    1.812988    24   116
   116  N      4.983450    8.854921    2.694202    24   115
   117  N      2.475539   -5.723731    2.053174    24   118
   118  N      2.233138   -4.671043    2.353472    24   117
   119  N      8.052335    4.470826    5.071210    24   120
   120  N      8.722075    4.179746    5.921981    24   119
   121  N     -5.445618   -7.317388    2.559069    24   122
   122  N     -5.433540   -6.203292    2.433637    24   121
   123  N     -2.515676   -4.866528    0.636894    24   124
   124  N     -2.342482   -5.944641    0.382403    24   123
   125  N      4.323355   -7.761141   -4.225130    24   126
   126  N      5.173518   -7.382935   -4.850649    24   125
   127  N     -2.396846   -6.726898   -6.074603    24   128
   128  N     -2.440607   -7.827817   -5.866877    24   127
   129  N     -7.291113   -5.167964   -5.053112    24   130
   130  N     -7.076264   -4.379713   -4.285265    24   129
   131  N      1.564863   -1.214971   -3.765966    24   132
   132  N      2.159986   -2.165123   -3.754579    24   131
   133  N     -7.470645    6.830859   -1.401080    24   134
   134  N     -8.547226    6.548310   -1.536087    24   133
   135  N      0.138158   -8.288237   -3.969008    24   136
   136  N      0.437281   -8.384426   -2.892736    24   135
   137  N      7.753983    5.138434   -5.686489    24   138
   138  N      6.695445    4.932613   -5.993451    24   137
   139  N     -7.819714   -4.064475   -0.661517    24   140
   140  N     -6.847388   -4.612668   -0.555880    24   139
   141  N     -2.901202    6.466731    4.892706    24   142
   142  N     -3.312196    6.716290    5.905570    24   141
   143  N     -5.766740   -0.879186    0.965836    24   144
   144  N     -6.871480   -0.865300    0.774928    24   143
   145  N     -6.507499   -6.504297    5.752061    24   146
   146  N     -6.689343   -5.551215    6.313896    24   145
   147  N     -4.857465   -0.726930   -5.253918    24   148
   148  N     -5.650529   -1.141760   -5.929237    24   147
   149  N      6.056855   -1.521748    5.543146    24   150
   150  N      5.724170   -1.045693    4.584094    24   149
   151  N      4.055322    4.380158    9.167185    24   152
   152  N      4.165335    3.289078    8.933670    24   151
   153  N      5.088799   -6.368441    8.771393    24   154
   154  N      4.087983   -6.525435    9.251821    24   153
   155  N     -6.263363    4.701333    4.256004    24   156
   156  N     -5.572931    4.629695    3.375515    24   155
   157  N      7.907493   -9.159076    5.395178    24   158
   158  N      8.031307   -8.634266    4.412155    24   157
   159  N     -0.026712   -7.812093   -8.183361    24   160
   160  N      0.146720   -8.663412   -7.474652    24   159
   161  N      0.458290   -5.357557    7.452555    24   162
   162  N      0.804394   -5.993455    6.596439    24   161
   163  N      0.068292    8.549678    6.747392    24   164
   164  N      0.971258    9.210494    6.676224    24   163
   165  N     -3.063718   -6.146875   -2.993443    24   166
   166  N     -4.130646   -5.961054   -3.283653    24   165
   167  N      6.960030   -2.265061    9.058164    24   168
   168  N      5.908142   -1.886686    8.971842    24   167
   169  N     -2.414721   -3.576021    7.792765    24   170
   170  N     -2.421598   -3.583987    6.671615    24   169
   171  N      4.704440    1.247329   -3.603322    24   172
   172  N      3.702142    1.330100   -3.107707    24   171
   173  N      5.392732    2.629752    4.122070    24   174
   174  N      4.789442    2.788164    5.053753    24   173
   175  N      8.974406   -1.123914   -6.174700    24   176
   176  N      9.185194   -0.454668   -5.300190    24   175
   177  N      0.173421    1.018833   -0.128576    24   178
   178  N      1.167294    0.664708    0.250770    24   177
   179  N      8.670346   -7.838573    8.637999    24   180
   180  N      8.586044   -8.909722    8.958346    24   179
   181  N      0.756595   -5.067599   -2.106277    24   182
   182  N      0.789916   -5.056427   -0.985627    24   181
   183  N     -7.383340    8.106434    3.007180    24   184
   184  N     -6.497282    7.815439    3.629524    24   183
   185  N     -6.958961    7.695221    7.777045    24   186
   186  N     -6.466093    8.683139    7.581627    24   185
   187  N      1.903221    2.066854   -6.492538    24   188
   188  N      2.414000    1.241142   -7.053246    24   187
   189  N      7.820522    1.381232    7.426193    24   190
   190  N      6.772925    1.657371    7.714944    24   189
   191  N     -0.695356    6.624828   -3.533150    24   192
   192  N     -0.902187    6.415302   -4.615005    24   191
   193  N      4.235772   -6.512187   -0.972231    24   194
   194  N      5.302730   -6.856354   -0.987727    24   193
   195  N      4.601459    5.952654    5.637015    24   196
   196  N      3.913727    6.793755    5.360136    24   195
   197  N     -8.878517   -5.940894    2.336207    24   198
   198  N     -8.591459   -5.619530    3.371298    24   197
   199  N      5.929010   -4.551701    3.456565    24   200
   200  N      5.840294   -5.139221    2.505755    24   199
   201  N     -4.138514   -0.469408    8.298830    24   202
   202  N     -4.813739    0.383390    8.570671    24   201
   203  N      2.014643    8.171587   -0.812945    24   204
   204  N      1.383191    8.649106   -0.019010    24   203
   205  N      7.471740   -4.206826   -5.592655    24   206
   206  N      7.398772   -5.115842   -6.244924    24   205
   207  N     -7.551581    3.548048   -3.611850    24   208
   208  N     -6.738081    2.791980   -3.458006    24   207
   209  N     -2.569019   -0.926619    0.709018    24   210
   210  N     -2.318677   -0.766485    1.790117    24   209
   211  N     -5.055117   -2.732437    3.836112    24   212
   212  N     -3.990729   -3.054598    3.693355    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.073300    3.269400    0.442929    24     2
     2  N     -6.294575    4.354671    0.617032    24     1
     3  N      9.075860    1.015001   -2.482395    24     4
     4  N      8.891837    0.257820   -1.676230    24     3
     5  N     -3.024649   -3.207078   -4.195172    24     6
     6  N     -2.262051   -3.107483   -3.379319    24     5
     7  N      7.517890    6.396844    2.529372    24     8
     8  N      6.585308    5.800449    2.351350    24     7
     9  N     -0.510055    4.089996    6.395958    24    10
    10  N      0.138915    3.176200    6.426021    24     9
    11  N     -1.805317   -7.583796    5.298998    24    12
    12  N     -2.811801   -7.215431    5.628217    24    11
    13  N      5.071810   -1.813915   -0.994886    24    14
    14  N      3.986355   -2.033115   -1.170462    24    13
    15  N     -2.316975    8.434134   -7.813699    24    16
    16  N     -2.741102    8.254168   -6.791536    24    15
    17  N     -7.478810   -8.018989   -6.405205    24    18
    18  N     -7.872772   -8.846309   -5.759121    24    17
    19  N      5.082402    8.482500    7.891711    24    20
    20  N      5.155586    8.707118    8.987740    24    19
    21  N     -3.505846    6.028933   -1.212121    24    22
    22  N     -3.792870    5.238449   -1.953634    24    21
    23  N      1.848495    6.793346   -5.332275    24    24
    24  N      2.694914    7.334810   -5.829750    24    23
    25  N     -1.139791    0.387985    8.661214    24    26
    26  N     -1.835798    1.102838    9.172730    24    25
    27  N     -2.237077   -3.672667   -7.487630    24    28
    28  N     -1.415330   -2.921874   -7.622276    24    27
    29  N      5.880835    1.869135    0.949261    24    30
    30  N      5.091481    1.824742    0.154253    24    29
    31  N      2.935462    4.604667   -2.414343    24    32
    32  N      2.715588    4.148136   -3.414506    24    31
    33  N      0.814311   -9.414889    2.290042    24    34
    34  N      0.856240   -8.795294    3.223549    24    33
    35  N     -4.812889   -0.731475    4.480419    24    36
    36  N     -4.500106    0.129362    3.833723    24    35
    37  N      8.657876   -2.801959    0.011966    24    38
    38  N      8.136339   -3.156916    0.938840    24    37
    39  N     -0.241643    5.487829   -7.927398    24    40
    40  N      0.613368    6.154755   -8.212454    24    39
    41  N     -8.973035   -6.037110   -2.373923    24    42
    42  N     -8.520587   -6.967467   -2.806144    24    41
    43  N      7.063604   -1.974246   -4.258303    24    44
    44  N      7.483295   -2.899764   -4.731974    24    43
    45  N      4.879164    0.348404   -6.874101    24    46
    46  N      5.963717    0.104518   -6.727966    24    45
    47  N      6.629306   -8.771658   -6.322619    24    48
    48  N      5.962000   -7.908955   -6.582496    24    47
    49  N     -8.021562   -2.615819    8.158199    24    50
    50  N     -8.114605   -1.678195    8.765894    24    49
    51  N     -1.502976    8.829888   -0.526754    24    52
    52  N     -2.482925    9.027439   -0.019052    24    51
    53  N      6.132035    7.885636   -2.925385    24    54
    54  N      6.509165    7.137755   -3.670728    24    53
    55  N      2.559754    0.717454    7.176193    24    56
    56  N      2.856340    1.685430    7.658012    24    55
    57  N      7.562526    5.763247    9.239444    24    58
    58  N      8.085768    6.713912    8.957412    24    57
    59  N     -3.671819    2.109324   -6.508700    24    60
    60  N     -4.603702    2.128522   -7.131850    24    59
    61  N      4.361878    6.393441    0.019300    24    62
    62  N      3.545240    6.081783    0.721483    24    61
    63  N     -3.132094    4.944172   -9.591941    24    64
    64  N     -3.182103    5.494008   -8.616098    24    63
    65  N      6.085110   -5.436731    5.445987    24    66
    66  N      5.779087   -4.534726    6.037449    24    65
    67  N      0.984811   -4.828494   -5.452552    24    68
    68  N     -0.104573   -5.093537   -5.461872    24    67
    69  N     -2.135616    2.650056    3.148832    24    70
    70  N     -2.862880    2.442327    2.321169    24    69
    71  N      1.182716   -1.123841    1.785067    24    72
    72  N      2.207991   -1.497146    1.527102    24    71
    73  N      1.002887   -2.709789    8.497497    24    74
    74  N      1.822505   -3.158903    9.116863    24    73
    75  N     -0.068719    5.510242   -0.247186    24    76
    76  N     -0.096649    4.398456   -0.389456    24    75
    77  N     -9.382984    1.551705    3.154478    24    78
    78  N     -8.368208    2.028437    3.147664    24    77
    79  N      2.737378   -6.240065    5.483638    24    80
    80  N      2.997112   -7.329578    5.534512    24    79
    81  N     -4.962777    0.212109   -2.022333    24    82
    82  N     -4.125485    0.399665   -1.300630    24    81
    83  N      0.928556    5.330871    3.672318    24    84
    84  N      0.128846    5.540357    2.914910    24    83
    85  N      7.767897   -8.682479    1.151261    24    86
    86  N      7.744578   -9.143118    0.129323    24    85
    87  N      1.312538    2.630658    1.890370    24    88
    88  N      2.290683    2.150161    2.153892    24    87
    89  N     -4.678362    8.986958   -3.822871    24    90
    90  N     -3.803193    8.651173   -3.207715    24    89
    91  N     -8.198599   -2.704396    4.031302    24    92
    92  N     -8.868985   -1.940364    4.504510    24    91
    93  N     -0.924695   -4.328400    6.000596    24    94
    94  N     -1.210387   -4.408639    4.919378    24    93
    95  N     -5.829366    5.301023   -6.779641    24    96
    96  N     -6.384393    6.122881   -6.256588    24    95
    97  N      4.212649   -2.585403   -5.729572    24    98
    98  N      4.103721   -3.472970   -6.405921    24    97
    99  N     -1.115962   -0.083803    4.799693    24   100
   100  N     -0.292634   -0.824778    4.973411    24    99
   101  N     -3.118279    6.890994    2.718300    24   102
   102  N     -3.999020    6.333914    2.304721    24   101
   103  N     -8.052876    3.498101   -8.372227    24   104
   104  N     -8.317055    2.627954   -9.028080    24   103
   105  N     -1.476672    2.272878   -3.831280    24   106
   106  N     -2.255456    1.470961   -3.917961    24   105
   107  N      2.080878   -2.678167    5.474287    24   108
   108  N      3.055639   -2.201783    5.191465    24   107
   109  N      7.912524    5.178834   -0.810884    24   110
   110  N      7.519480    4.211180   -1.218621    24   109
   111  N     -6.373064   -5.593286   -8.734657    24   112
   112  N     -5.701439   -4.893627   -8.172088    24   111
   113  N     -6.559017    8.563924   -0.494860    24   114
   114  N     -7.078484    8.544427    0.498551    24   113
   115  N      4.134487   -7.650772    1.282831    24   116
   116  N      4.048999   -8.768352    1.311051    24   115
   117  N      0.742379   -4.415693    2.428583    24   118
   118  N      1.110365   -5.241881    3.091221    24   117
   119  N      8.736577    4.633250    5.240001    24   120
   120  N      9.017688    3.920681    6.058728    24   119
   121  N     -4.957555   -7.981516    2.581012    24   122
   122  N     -5.448791   -6.998121    2.360308    24   121
   123  N     -2.432975   -5.369487    1.454192    24   124
   124  N     -2.128735   -6.448579    1.444800    24   123
   125  N      3.479483   -6.616021   -4.058448    24   126
   126  N      3.514472   -7.693250   -4.367387    24   125
   127  N     -3.681922   -5.896260   -5.595934    24   128
   128  N     -3.266711   -6.532511   -6.420478    24   127
   129  N     -6.520782   -4.547971   -4.661855    24   130
   130  N     -6.316135   -3.767209   -3.883639    24   129
   131  N      0.557930   -0.757631   -5.107100    24   132
   132  N      0.866356   -1.543612   -4.369404    24   131
   133  N     -7.358884    5.733007   -2.357365    24   134
   134  N     -7.458922    6.414125   -3.242328    24   133
   135  N     -0.137561   -8.221699   -3.543158    24   136
   136  N     -0.808941   -8.766773   -4.256763    24   135
   137  N      6.908618    3.417922   -4.492346    24   138
   138  N      5.914893    3.642267   -4.960609    24   137
   139  N     -6.321032   -3.568924    0.536244    24   140
   140  N     -5.623246   -4.256624   -0.008966    24   139
   141  N     -2.196570    7.199522    6.399355    24   142
   142  N     -1.192198    7.442614    5.964345    24   141
   143  N     -7.306286   -0.628682    1.327130    24   144
   144  N     -6.895552   -0.280658    0.343633    24   143
   145  N     -6.200028   -7.485531    5.919296    24   146
   146  N     -6.710380   -6.510308    6.132771    24   145
   147  N     -4.495164   -1.519802   -7.167809    24   148
   148  N     -5.552727   -1.755365   -6.879434    24   147
   149  N      5.967499   -0.920558    2.191914    24   150
   150  N      5.651750   -1.421069    3.144217    24   149
   151  N      4.148726    4.288790   -8.541105    24   152
   152  N      5.137735    4.146394   -8.032508    24   151
   153  N      4.992906   -5.336119   -8.751960    24   154
   154  N      5.159732   -6.209268   -9.435238    24   153
   155  N     -4.981272    4.553787    5.042560    24   156
   156  N     -5.293831    4.012295    5.973250    24   155
   157  N      7.082307   -8.946414    4.520268    24   158
   158  N      6.217798   -8.710544    3.846416    24   157
   159  N      2.850117   -7.987114   -7.894848    24   160
   160  N      1.931035   -7.910272   -7.257294    24   159
   161  N     -0.846445   -6.990090    8.055026    24   162
   162  N     -0.067874   -6.697850    8.807032    24   161
   163  N      1.290117    8.419385    7.448786    24   164
   164  N      1.917640    7.937848    6.654162    24   163
   165  N     -3.339760   -6.469837   -2.129989    24   166
   166  N     -4.460218   -6.447298   -2.163975    24   165
   167  N      5.737117   -2.235048    8.710931    24   168
   168  N      6.829557   -2.338678    8.940982    24   167
   169  N     -3.338556   -2.410606    7.439944    24   170
   170  N     -4.366390   -2.545358    7.867129    24   169
   171  N      4.310312    0.869197   -3.343784    24   172
   172  N      3.196187    0.753762   -3.293915    24   171
   173  N      5.066147    1.802275    5.325832    24   174
   174  N      5.568658    2.789003    5.501726    24   173
   175  N     -8.473033   -0.914560   -5.846381    24   176
   176  N     -8.510245    0.120711   -6.275240    24   175
   177  N     -0.189424   -0.105192   -0.897260    24   178
   178  N     -0.585072    0.900987   -0.600349    24   177
   179  N      8.197041   -7.487126    8.676206    24   180
   180  N      8.289895   -7.543430    7.560277    24   179
   181  N      1.640953   -6.746980   -1.211752    24   182
   182  N      1.017807   -7.175622   -0.384077    24   181
   183  N     -7.074041    7.444442    3.590387    24   184
   184  N     -7.845106    8.230734    3.800850    24   183
   185  N     -6.276043    7.403356    8.503821    24   186
   186  N     -6.164107    6.512354    7.832498    24   185
   187  N      1.049298    2.483095   -6.871592    24   188
   188  N      1.753473    2.944120   -6.130861    24   187
   189  N      7.071970    2.165264    8.450161    24   190
   190  N      6.811209    1.074924    8.434298    24   189
   191  N     -1.227280    5.599138   -4.426935    24   192
   192  N     -0.659422    5.832616   -3.488790    24   191
   193  N      6.418429   -4.565900   -1.684463    24   194
   194  N      6.395231   -5.590326   -1.229377    24   193
   195  N      3.918205    6.796007    4.398291    24   196
   196  N      4.241923    5.896963    4.984818    24   195
   197  N     -8.686387   -6.117518    3.217304    24   198
   198  N     -8.999450   -5.815874    2.183818    24   197
   199  N      4.224841   -4.226852    1.087652    24   200
   200  N      4.150189   -4.467993    2.180065    24   199
   201  N     -5.595362    0.457277    8.444574    24   202
   202  N     -4.891523    1.272858    8.133883    24   201
   203  N      3.306951    8.757002   -1.686973    24   204
   204  N      2.613317    8.040752   -2.199757    24   203
   205  N      8.394322   -5.414063   -6.617459    24   206
   206  N      7.998165   -4.559472   -7.225590    24   205
   207  N     -5.815502    3.230077   -3.797506    24   208
   208  N     -6.855518    2.817622   -3.870551    24   207
   209  N     -2.297811   -1.713726    1.155774    24   210
   210  N     -2.507116   -1.935021    2.234806    24   209
   211  N     -4.637502   -3.913359    3.879240    24   212
   212  N     -4.204941   -4.168484    4.881683    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.436755    3.275668   -0.237801    24     2
     2  N     -6.597520    3.484386    0.852006    24     1
     3  N      7.747323    1.416652   -1.753480    24     4
     4  N      8.799721    1.594386   -1.410029    24     3
     5  N     -2.574909   -2.008406   -3.619351    24     6
     6  N     -2.999342   -2.308958   -4.612636    24     5
     7  N      6.836740    5.142866    3.202749    24     8
     8  N      6.948294    6.016548    3.896525    24     7
     9  N      1.721044    3.831506    7.243899    24    10
    10  N      1.225679    4.741189    6.814737    24     9
    11  N     -2.501100   -7.669778    4.489972    24    12
    12  N     -2.992237   -6.865518    5.097458    24    11
    13  N      5.491266   -1.336264   -0.089748    24    14
    14  N      6.237288   -2.172768   -0.118063    24    13
    15  N     -2.009715    8.092440   -7.164962    24    16
    16  N     -2.133576    8.101403   -8.279264    24    15
    17  N     -7.604469   -7.372036   -5.192437    24    18
    18  N     -7.907622   -8.241093   -5.832693    24    17
    19  N      4.864904    8.049267    9.314205    24    20
    20  N      5.200998    8.145263    8.248882    24    19
    21  N     -3.948685    5.027486   -1.944250    24    22
    22  N     -4.298891    4.422132   -2.820601    24    21
    23  N      4.440276    7.152566   -5.362861    24    24
    24  N      3.418683    7.605202   -5.270341    24    23
    25  N     -1.809677    0.041843    9.067617    24    26
    26  N     -1.491789    1.086987    8.815213    24    25
    27  N     -1.844314   -3.789098   -8.192373    24    28
    28  N     -1.557258   -4.250932   -7.211864    24    27
    29  N      4.434763    2.121337   -0.269531    24    30
    30  N      4.402584    1.802057    0.804766    24    29
    31  N      2.792648    4.116098   -3.541464    24    32
    32  N      3.787352    4.346115   -3.078059    24    31
    33  N      1.211363   -9.596562    1.940555    24    34
    34  N      0.739370   -8.652072    2.317716    24    33
    35  N     -4.857736    0.446677    3.729857    24    36
    36  N     -4.311582   -0.035838    2.877810    24    35
    37  N     -8.730513   -4.342813    0.434770    24    38
    38  N     -8.742815   -3.221681    0.434765    24    37
    39  N      1.168954    7.232385   -8.543397    24    40
    40  N      1.294532    6.577740   -7.641865    24    39
    41  N     -8.037691   -7.305810   -1.718466    24    42
    42  N     -7.178576   -6.838251   -1.170379    24    41
    43  N      8.547880   -2.231314   -3.021471    24    44
    44  N      8.339041   -3.328090   -2.918712    24    43
    45  N      5.164673   -1.047715   -7.364089    24    46
    46  N      4.374772   -0.252872   -7.327059    24    45
    47  N      6.022139   -7.822955   -7.025993    24    48
    48  N      5.901230   -7.695982   -5.918588    24    47
    49  N      9.219543   -2.432460    8.765803    24    50
    50  N      8.678924   -1.722096    9.444185    24    49
    51  N     -1.815331    8.319668   -0.322581    24    52
    52  N     -2.814586    8.825506   -0.374590    24    51
    53  N      5.922974    7.833129   -2.655550    24    54
    54  N      6.122362    8.324615   -1.667736    24    53
    55  N      2.223029    0.020717    7.778399    24    56
    56  N      2.029925   -0.000752    8.882636    24    55
    57  N      7.567086    7.054994   -7.045121    24    58
    58  N      8.486740    6.419884   -6.955900    24    57
    59  N     -4.247721    1.583895   -6.555596    24    60
    60  N     -5.051570    1.102668   -7.171500    24    59
    61  N      3.076265    5.951470    0.967687    24    62
    62  N      2.288302    5.263040    1.370515    24    61
    63  N     -1.683382    4.932738    9.338517    24    64
    64  N     -2.404374    4.481503    8.608006    24    63
    65  N      7.318541   -4.466993    4.234864    24    66
    66  N      7.180237   -4.471627    3.122237    24    65
    67  N     -0.630047   -5.209755   -4.188555    24    68
    68  N      0.269924   -5.682164   -4.661812    24    67
    69  N     -2.500470    1.914930    0.971494    24    70
    70  N     -3.338212    2.649692    0.847384    24    69
    71  N      2.455717   -1.809456    1.315123    24    72
    72  N      2.303159   -0.825330    0.800039    24    71
    73  N      2.007470   -3.109376   -8.718340    24    74
    74  N      2.202609   -3.445474   -7.666651    24    73
    75  N     -0.503813    5.143932   -0.501613    24    76
    76  N     -0.814189    4.210204   -1.039114    24    75
    77  N     -8.350707    3.138564    3.784298    24    78
    78  N     -8.045192    2.064328    3.685474    24    77
    79  N      3.122868   -5.643053    7.002261    24    80
    80  N      3.718930   -5.148386    6.191642    24    79
    81  N     -4.271399    0.463351   -1.848411    24    82
    82  N     -5.228809    0.013947   -1.476263    24    81
    83  N     -0.815742    5.375794    2.680519    24    84
    84  N     -0.493555    6.260076    3.289887    24    83
    85  N      7.998329    8.711773    0.747047    24    86
    86  N      8.938346    8.406376    0.217717    24    85
    87  N      0.307872    2.202872    3.060371    24    88
    88  N      0.524297    2.326022    1.967172    24    87
    89  N     -4.897449    8.742754   -4.535064    24    90
    90  N     -4.159465    8.251908   -3.848376    24    89
    91  N     -7.627451   -1.835891    4.575495    24    92
    92  N     -8.456492   -1.198717    4.980201    24    91
    93  N     -0.292292   -3.393443    7.247519    24    94
    94  N     -1.329588   -3.646296    6.905214    24    93
    95  N     -4.939784    4.609049   -6.331471    24    96
    96  N     -4.359350    5.568312   -6.331068    24    95
    97  N      4.244156   -2.957043   -3.190603    24    98
    98  N      4.181016   -3.050636   -4.306104    24    97
    99  N     -1.908215   -0.407567    4.898752    24   100
   100  N     -1.437891   -0.342723    5.914469    24    99
   101  N     -4.546030    6.502766    2.168274    24   102
   102  N     -4.283026    5.580848    1.586909    24   101
   103  N     -8.037510    4.164971   -8.801719    24   104
   104  N     -6.940110    4.068229   -8.593287    24   103
   105  N     -1.278035    1.719422   -4.211330    24   106
   106  N     -1.845945    0.860475   -4.654926    24   105
   107  N      1.337952   -1.570728    4.973267    24   108
   108  N      2.245106   -2.138557    5.307529    24   107
   109  N      8.972597    5.120760    0.149518    24   110
   110  N      8.072505    4.452243    0.152170    24   109
   111  N     -6.479433   -6.113945   -8.784860    24   112
   112  N     -6.915164   -5.080998   -8.769160    24   111
   113  N     -6.448857    8.134970   -1.365293    24   114
   114  N     -6.759769    7.149344   -0.930593    24   113
   115  N      5.149046   -8.196947    1.607125    24   116
   116  N      4.773612   -9.180265    1.993420    24   115
   117  N      0.844781   -5.037801    4.060145    24   118
   118  N      0.752881   -4.894981    2.951882    24   117
   119  N      7.946040    6.131665    7.977355    24   120
   120  N      8.788747    6.858187    7.839143    24   119
   121  N     -5.160523   -8.018382    2.331017    24   122
   122  N     -5.688538   -8.490808    1.462051    24   121
   123  N     -2.524490   -5.277318    1.609571    24   124
   124  N     -2.131182   -6.182852    1.078153    24   123
   125  N      3.590661   -6.248658   -3.700045    24   126
   126  N      3.192916   -7.287724   -3.561367    24   125
   127  N     -4.116323   -6.185317   -5.827839    24   128
   128  N     -3.570211   -6.851969   -6.545074    24   127
   129  N     -6.811412   -4.375640   -4.040292    24   130
   130  N     -6.838758   -3.259728   -4.145558    24   129
   131  N      0.414147   -0.992975   -5.948425    24   132
   132  N      1.071491   -0.839183   -5.053251    24   131
   133  N     -7.917454    6.020211   -4.036612    24   134
   134  N     -8.674465    5.643852   -3.300151    24   133
   135  N     -0.294571    8.550382   -4.613739    24   136
   136  N     -0.531985    9.263230   -3.781529    24   135
   137  N      6.943869    3.855359   -4.326995    24   138
   138  N      6.310341    3.067906   -4.812433    24   137
   139  N     -4.698599   -3.381832   -1.227544    24   140
   140  N     -5.394085   -3.814449   -0.461885    24   139
   141  N     -3.176762    7.839739    6.399476    24   142
   142  N     -2.717379    6.855730    6.120580    24   141
   143  N     -7.051192   -0.560389    1.562861    24   144
   144  N     -7.797495    0.081107    1.025643    24   143
   145  N     -6.644402   -8.221082    5.368006    24   146
   146  N     -6.970900   -7.368252    6.018521    24   145
   147  N     -5.595254   -1.579487   -8.067938    24   148
   148  N     -5.725747   -2.433081   -7.352788    24   147
   149  N      7.593629    0.363821    3.044646    24   150
   150  N      7.632512   -0.756218    3.011629    24   149
   151  N      5.607338    3.558269   -8.249946    24   152
   152  N      5.120448    4.084602   -9.111920    24   151
   153  N      5.078390   -4.579258   -8.284107    24   154
   154  N      5.361973   -5.166145   -9.196376    24   153
   155  N     -3.949245    3.604152    5.077542    24   156
   156  N     -2.880454    3.681198    4.747631    24   155
   157  N      6.790633   -8.055498    5.743896    24   158
   158  N      6.326030   -7.742454    4.772693    24   157
   159  N      1.917416   -6.832375   -7.668766    24   160
   160  N      2.032281   -7.928093   -7.460684    24   159
   161  N     -1.058436   -7.142808    9.261221    24   162
   162  N     -1.105514   -6.857526    8.177945    24   161
   163  N      1.052630   -8.805878    5.793825    24   164
   164  N      0.403072   -9.445069    6.446970    24   163
   165  N     -3.322653   -6.338939   -1.750878    24   166
   166  N     -3.867552   -6.616129   -2.690739    24   165
   167  N      6.417037   -1.213914    6.573977    24   168
   168  N      5.913214   -2.183408    6.825635    24   167
   169  N     -4.589044   -4.203069    7.281623    24   170
   170  N     -4.909614   -3.758441    6.303549    24   169
   171  N      4.706994    0.605006   -4.002102    24   172
   172  N      4.124720    0.618791   -3.044054    24   171
   173  N      5.108795    2.225028    6.027961    24   174
   174  N      5.047738    1.494713    5.179433    24   173
   175  N      8.865022    0.249117   -6.034502    24   176
   176  N      9.126892    0.954167   -6.866018    24   175
   177  N      1.340351    1.589506   -1.645902    24   178
   178  N      0.629045    0.722997   -1.663126    24   177
   179  N      8.430374   -7.748865    8.779713    24   180
   180  N      8.797562   -8.400295    7.944308    24   179
   181  N      0.503198   -6.060529   -1.410070    24   182
   182  N      0.431144   -6.821774   -0.590066    24   181
   183  N     -7.408657    6.706383    3.082550    24   184
   184  N     -8.169471    7.524971    2.992183    24   183
   185  N     -6.915320    8.325800   -8.466563    24   186
   186  N     -6.293723    9.046560   -9.059194    24   185
   187  N      1.200551    2.692278   -7.146613    24   188
   188  N      1.676224    2.254171   -6.230706    24   187
   189  N      8.276193    1.689724    7.390473    24   190
   190  N      8.704691    2.493799    6.737065    24   189
   191  N     -1.219930    5.067304   -5.504286    24   192
   192  N     -1.344209    5.051927   -4.390101    24   191
   193  N      6.760492   -6.726396   -1.216159    24   194
   194  N      6.366190   -5.760540   -1.626936    24   193
   195  N      3.242427    7.373449    4.362192    24   196
   196  N      4.007097    6.692821    4.819479    24   195
   197  N     -8.934070   -7.007908    3.298722    24   198
   198  N     -8.393886   -7.143430    2.325620    24   197
   199  N      3.057569   -5.174928    0.273394    24   200
   200  N      3.989147   -4.803464    0.774659    24   199
   201  N     -6.172028    0.942869    7.442887    24   202
   202  N     -5.302472    0.453312    6.931713    24   201
   203  N      1.964443    8.615486   -1.598492    24   204
   204  N      2.780226    8.967406   -0.914577    24   203
   205  N      8.027695   -5.319054   -6.185385    24   206
   206  N      8.534927   -4.319182   -6.177402    24   205
   207  N     -6.908857    2.083533   -4.196209    24   208
   208  N     -7.654097    2.918431   -4.127988    24   207
   209  N     -2.185017   -1.437535    0.826654    24   210
   210  N     -1.115143   -1.489526    1.157949    24   209
   211  N     -6.234449   -4.471931    3.421544    24   212
   212  N     -5.465607   -3.747680    3.045470    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -7.293858    3.293847   -0.346476    24     2
     2  N     -6.536113    3.532618    0.444662    24     1
     3  N      7.247743    2.040357   -1.450863    24     4
     4  N      7.817204    2.574192   -2.255738    24     3
     5  N     -3.288743   -2.105342   -4.449673    24     6
     6  N     -2.500933   -2.683149   -4.999750    24     5
     7  N      6.919603    5.814820    3.645408    24     8
     8  N      6.736311    6.919603    3.699698    24     7
     9  N      1.516031    5.104676    7.592361    24    10
    10  N      1.252621    4.087228    7.982880    24     9
    11  N     -2.321290   -6.849640    4.931046    24    12
    12  N     -2.455966   -7.962707    4.936664    24    11
    13  N      7.264494   -1.334181   -1.919238    24    14
    14  N      7.036819   -2.386523   -1.606459    24    13
    15  N     -3.611227    8.814295   -7.392857    24    16
    16  N     -3.354429    9.272815   -8.383262    24    15
    17  N     -8.304740   -7.655871   -6.178617    24    18
    18  N     -8.720486   -8.281064   -5.345924    24    17
    19  N      3.888031    7.746891    8.688269    24    20
    20  N      4.672093    8.529125    8.513781    24    19
    21  N     -4.742026    4.566828   -2.317576    24    22
    22  N     -3.831026    4.481275   -2.965533    24    21
    23  N      4.207998    6.487791   -6.751007    24    24
    24  N      3.874718    7.129800   -5.894362    24    23
    25  N     -1.494882    1.636622   -8.517818    24    26
    26  N     -0.528857    1.773601   -7.965441    24    25
    27  N     -2.137581   -1.911419   -8.275351    24    28
    28  N     -1.621030   -2.814120   -8.694152    24    27
    29  N      4.121851    2.311584    2.350958    24    30
    30  N      3.994771    1.785802    1.368873    24    29
    31  N      2.555158    3.922957   -3.763741    24    32
    32  N      3.308352    4.673231   -3.407544    24    31
    33  N      0.457483   -8.457481    3.280435    24    34
    34  N      1.251165   -7.730479    2.966386    24    33
    35  N     -5.392960   -0.655273    2.232061    24    36
    36  N     -5.033924    0.236886    1.655663    24    35
    37  N     -8.642438   -4.021433    0.979089    24    38
    38  N     -9.043658   -3.049049    1.367138    24    37
    39  N      0.371181    7.948388   -8.340633    24    40
    40  N      1.012058    7.506770   -7.533576    24    39
    41  N     -6.511989   -7.107193   -1.863143    24    42
    42  N     -7.393829   -7.740134   -2.143916    24    41
    43  N     -8.125776   -0.862150   -3.077004    24    44
    44  N     -7.764371   -1.911875   -3.233705    24    43
    45  N      4.685338   -0.732495   -7.768721    24    46
    46  N      4.665757   -1.755518   -7.310321    24    45
    47  N      6.188982   -7.823258   -5.624569    24    48
    48  N      5.181685   -7.792637   -6.116000    24    47
    49  N      8.796517   -3.709330    8.300297    24    50
    50  N      9.107949   -2.772177    8.831185    24    49
    51  N     -2.577073   -8.443356    1.527604    24    52
    52  N     -1.869949   -9.041178    0.895406    24    51
    53  N      6.077755    6.531087   -1.902756    24    54
    54  N      5.819981    6.977270   -2.898528    24    53
    55  N      2.195009    0.042161    8.198034    24    56
    56  N      1.658120    1.018896    8.076257    24    55
    57  N      8.040583    6.946022   -7.392965    24    58
    58  N      7.360041    7.566293   -6.753267    24    57
    59  N     -5.943696   -0.331783   -5.199194    24    60
    60  N     -5.130772   -0.082801   -5.930120    24    59
    61  N      4.071702    4.708595   -0.395991    24    62
    62  N      4.228745    5.375732    0.491341    24    61
    63  N     -2.606347    5.177756    8.963155    24    64
    64  N     -1.758738    4.548069    8.586136    24    63
    65  N      5.124389   -2.491864    2.933731    24    66
    66  N      5.608671   -3.458889    2.638059    24    65
    67  N      0.084021   -5.005660   -4.588751    24    68
    68  N     -0.424323   -5.755303   -5.249594    24    67
    69  N     -2.267132    1.819801    0.287864    24    70
    70  N     -2.703692    2.321170   -0.614985    24    69
    71  N      2.977671   -1.262820    0.250414    24    72
    72  N      3.938791   -1.388416   -0.313114    24    71
    73  N      2.098160   -3.386126    9.560215    24    74
    74  N      1.979975   -4.032451    8.651707    24    73
    75  N      0.071453    4.632855    0.616904    24    76
    76  N      0.244424    4.876784   -0.463683    24    75
    77  N     -6.831733    2.244428    4.092071    24    78
    78  N     -7.913575    2.529960    4.164025    24    77
    79  N      3.494075   -5.343149    4.751678    24    80
    80  N      3.765393   -4.650313    5.590400    24    79
    81  N     -5.695486    0.517917   -1.396305    24    82
    82  N     -4.726963    0.534588   -1.960906    24    81
    83  N      0.214741    6.146787    3.514037    24    84
    84  N      0.351513    5.269867    4.199161    24    83
    85  N     -9.097550    7.375023    0.335528    24    86
    86  N     -9.130264    8.354810    0.879620    24    85
    87  N      0.139734    1.949114    3.100675    24    88
    88  N      0.962508    2.023262    2.342628    24    87
    89  N     -4.859724    8.973448   -3.984799    24    90
    90  N     -4.843601    7.852440   -3.971733    24    89
    91  N     -8.139157   -0.808182    5.259995    24    92
    92  N     -8.068873   -1.130826    6.331465    24    91
    93  N     -0.315969   -3.969472    6.417209    24    94
    94  N     -0.224417   -4.014319    5.300653    24    93
    95  N     -4.592280    4.802057   -6.483527    24    96
    96  N     -4.367672    3.765358   -6.120351    24    95
    97  N      4.736649   -4.297313   -3.861069    24    98
    98  N      3.892664   -3.756635   -4.363508    24    97
    99  N     -1.897760    0.029015    5.122579    24   100
   100  N     -1.060489   -0.704299    5.257923    24    99
   101  N     -4.082247    4.986013    2.752690    24   102
   102  N     -2.995796    4.717087    2.818956    24   101
   103  N     -8.176024    3.568703   -8.709416    24   104
   104  N     -8.035965    3.541457   -7.597332    24   103
   105  N     -1.917901    1.150015   -4.079468    24   106
   106  N     -1.418913    2.097361   -3.746848    24   105
   107  N      2.196286   -0.878169    3.801592    24   108
   108  N      2.058886   -1.060813    4.899249    24   107
   109  N      7.549893    4.239757    0.975088    24   110
   110  N      8.502738    4.138738    1.557299    24   109
   111  N     -6.966112   -6.282902    9.280088    24   112
   112  N     -6.486267   -7.177602    8.804327    24   111
   113  N     -5.854892    7.668044   -0.583399    24   114
   114  N     -5.322640    7.126606    0.241613    24   113
   115  N      5.297779    8.496822    1.154110    24   116
   116  N      4.254672    8.757588    1.471943    24   115
   117  N      2.063915   -3.729142    1.881512    24   118
   118  N      0.992505   -4.035231    1.757099    24   117
   119  N      7.797914    6.390085    6.869246    24   120
   120  N      8.763117    5.845174    7.038198    24   119
   121  N     -5.840997   -7.996855    1.837086    24   122
   122  N     -6.239797   -6.985800    1.561741    24   121
   123  N     -2.263015   -2.117660    1.846471    24   124
   124  N     -1.810898   -2.994828    2.378691    24   123
   125  N      3.854745   -7.648023   -2.797598    24   126
   126  N      3.020134   -6.926654   -2.997950    24   125
   127  N     -3.788298   -5.720257   -7.272856    24   128
   128  N     -3.818246   -6.495908   -6.463808    24   127
   129  N     -6.115399   -4.620717   -4.861956    24   130
   130  N     -7.211618   -4.853433   -4.826815    24   129
   131  N      1.281165   -1.549221   -3.987823    24   132
   132  N      1.408374   -1.630514   -5.098813    24   131
   133  N     -8.878970    7.212167   -3.188336    24   134
   134  N     -8.681492    6.112936   -3.089431    24   133
   135  N     -1.023480   -8.909758   -5.370190    24   136
   136  N     -1.319346   -8.716241   -4.306186    24   135
   137  N      6.308910    4.330257   -5.182840    24   138
   138  N      7.262450    3.827710   -5.491546    24   137
   139  N     -5.929735   -3.423939   -0.668075    24   140
   140  N     -4.812866   -3.490931   -0.740233    24   139
   141  N     -3.155900    7.805599    6.879235    24   142
   142  N     -3.998672    7.459697    6.225648    24   141
   143  N     -8.584210    0.815497    1.418592    24   144
   144  N     -9.226374    0.180314    0.754319    24   143
   145  N     -6.560739   -9.031606    6.143920    24   146
   146  N     -7.114834   -8.288576    5.513067    24   145
   147  N     -5.542337   -2.985836   -7.858781    24   148
   148  N     -5.532359   -3.147716   -8.968188    24   147
   149  N      7.182467    1.373073    4.326650    24   150
   150  N      6.974701    0.818146    3.374821    24   149
   151  N      4.898238    4.336503    8.869774    24   152
   152  N      5.172898    4.598004    7.814660    24   151
   153  N      5.119436   -5.599961   -8.775704    24   154
   154  N      5.608211   -4.788902   -8.175393    24   153
   155  N     -4.647536    3.077058    6.416126    24   156
   156  N     -3.699429    3.496528    5.989243    24   155
   157  N      5.156635   -8.338878    5.419278    24   158
   158  N      5.887664   -8.408133    4.571995    24   157
   159  N      2.273643   -7.812167   -7.906482    24   160
   160  N      2.110486   -7.641014   -6.810499    24   159
   161  N     -0.455205   -6.396685   -8.418447    24   162
   162  N     -1.286537   -6.804042   -9.050931    24   161
   163  N      2.121210   -8.013428    7.130795    24   164
   164  N      1.161787   -7.735894    6.621313    24   163
   165  N     -3.322689   -6.584831   -2.305972    24   166
   166  N     -3.059971   -5.689545   -2.927687    24   165
   167  N      5.264008   -2.216506    6.695714    24   168
   168  N      5.749800   -2.663820    7.601807    24   167
   169  N     -3.708272   -4.701954    7.030819    24   170
   170  N     -3.332497   -3.759869    6.552952    24   169
   171  N      4.646128    0.389541   -3.780509    24   172
   172  N      5.153437    1.320022   -4.146473    24   171
   173  N      4.292372    1.455771    5.773084    24   174
   174  N      3.524790    2.272992    5.765747    24   173
   175  N      9.017957    0.311302   -6.192321    24   176
   176  N      7.978301    0.328113   -5.772890    24   175
   177  N      0.743764    1.679637   -1.253915    24   178
   178  N      1.715699    1.320951   -1.682607    24   177
   179  N      7.539693   -7.805435    8.861719    24   180
   180  N      8.100731   -7.444671    7.960511    24   179
   181  N     -0.437787   -6.171877    0.010665    24   182
   182  N      0.178441   -6.001449   -0.910372    24   181
   183  N     -6.730662    5.835992    4.665241    24   184
   184  N     -6.950657    6.824116    4.183262    24   183
   185  N     -6.251290    6.918504   -8.368157    24   186
   186  N     -6.904895    7.829337   -8.351682    24   185
   187  N      2.258734    2.655503   -6.762824    24   188
   188  N      2.437287    1.666647   -6.265459    24   187
   189  N      7.531326    0.482492    8.976636    24   190
   190  N      7.335666    1.517477    8.592431    24   189
   191  N     -1.382946    5.759862   -4.925515    24   192
   192  N     -0.743170    4.980287   -5.415452    24   191
   193  N      7.307746   -6.086321   -2.401095    24   194
   194  N      8.093388   -5.702977   -3.103165    24   193
   195  N      3.268042    7.000250    4.947162    24   196
   196  N      3.435542    5.902599    4.791615    24   195
   197  N      9.296303   -6.641923    3.135798    24   198
   198  N      8.823380   -7.378464    2.435125    24   197
   199  N      4.507837   -6.197407    0.412694    24   200
   200  N      5.516499   -6.283767    0.894597    24   199
   201  N     -5.256550    0.238535    8.171219    24   202
   202  N     -4.366787   -0.400936    7.933545    24   201
   203  N      2.101001    7.992829   -0.473788    24   204
   204  N      1.243569    8.438676    0.094647    24   203
   205  N      7.944006   -3.450320   -5.545505    24   206
   206  N      7.886880   -4.477253   -5.991862    24   205
   207  N     -7.194066    2.417417   -4.157804    24   208
   208  N     -8.009525    3.185801   -4.199072    24   207
   209  N     -1.416923   -2.233285   -1.849920    24   210
   210  N     -0.834462   -3.171426   -1.655703    24   209
   211  N     -5.446811   -4.191491    3.199226    24   212
   212  N     -6.238018   -3.806064    3.893868    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -6.833757    4.184526    0.163718    24     2
     2  N     -6.010767    3.439900    0.322801    24     1
     3  N      6.535395    2.639671   -2.416890    24     4
     4  N      7.609484    2.806934   -2.142218    24     3
     5  N     -4.086991   -1.536634   -5.086782    24     6
     6  N     -4.292084   -2.481447   -4.519019    24     5
     7  N      6.829857    6.724244    4.171270    24     8
     8  N      7.639358    7.124121    3.506516    24     7
     9  N      0.573462    4.313683    7.104022    24    10
    10  N      1.473547    4.740541    7.618540    24     9
    11  N     -3.005620   -7.459227    5.941584    24    12
    12  N     -2.308428   -7.483825    6.819312    24    11
    13  N      6.385778   -2.278049   -1.872873    24    14
    14  N      6.536499   -1.437261   -2.599129    24    13
    15  N     -2.906557    8.490504   -7.505157    24    16
    16  N     -2.682986    9.165278   -8.372212    24    15
    17  N     -7.497548   -8.171542   -5.896588    24    18
    18  N     -7.977806   -8.460027   -4.925393    24    17
    19  N      4.822245    8.141117    8.379806    24    20
    20  N      4.206723    8.305564    9.302399    24    19
    21  N     -3.503950    4.030654   -2.358669    24    22
    22  N     -3.527136    4.839847   -1.582938    24    21
    23  N      3.969272    7.069269   -5.311300    24    24
    24  N      4.373033    7.513194   -4.364200    24    23
    25  N     -3.227615    1.096400   -8.464000    24    26
    26  N     -2.371268    1.252200   -7.757258    24    25
    27  N     -1.683850   -3.368246   -8.679864    24    28
    28  N     -1.734129   -2.292279   -8.991080    24    27
    29  N      4.648910    1.763170    0.158056    24    30
    30  N      4.875289    0.687869   -0.064585    24    29
    31  N      3.086001    4.552614   -3.152907    24    32
    32  N      2.481627    3.630369   -2.949718    24    31
    33  N      2.789566   -7.525311    2.508284    24    34
    34  N      2.402539   -7.532580    1.456026    24    33
    35  N     -4.730058   -0.753062    2.068896    24    36
    36  N     -5.120968    0.284420    2.235954    24    35
    37  N     -7.780225   -3.281435    0.185882    24    38
    38  N     -7.911692   -3.615715    1.247985    24    37
    39  N      0.846030    8.078517    9.645778    24    40
    40  N      0.787919    7.692177    8.594848    24    39
    41  N     -7.419441   -8.215303   -0.917778    24    42
    42  N     -7.325627   -7.912116    0.157567    24    41
    43  N     -7.562916   -1.675902   -2.956257    24    44
    44  N     -8.098834   -2.537311   -3.433601    24    43
    45  N      4.684662   -1.246950   -7.806646    24    46
    46  N      3.605346   -1.039748   -8.028538    24    45
    47  N      7.114022   -7.953254   -6.207703    24    48
    48  N      6.016451   -7.745298   -6.111888    24    47
    49  N     -8.617808   -3.258055    7.561007    24    50
    50  N     -9.615766   -3.720632    7.343770    24    49
    51  N     -0.711868    8.878584    1.943319    24    52
    52  N     -1.711921    9.046201    1.464896    24    51
    53  N      6.603046    6.410470   -1.893185    24    54
    54  N      5.881240    6.144948   -1.077353    24    53
    55  N      0.235834    0.165616    8.068999    24    56
    56  N      1.342891    0.161257    7.891531    24    55
    57  N      8.160278    6.209204   -5.316876    24    58
    58  N      7.924984    7.217923   -5.746073    24    57
    59  N     -6.303370    0.431198   -6.390288    24    60
    60  N     -6.430646    0.740946   -5.320266    24    59
    61  N      4.213966    6.461875    1.650758    24    62
    62  N      3.423506    5.920541    1.068331    24    61
    63  N     -2.595110    4.829589    9.163956    24    64
    64  N     -2.440291    5.934797    9.056090    24    63
    65  N      6.548763   -1.327484    2.204459    24    66
    66  N      7.094934   -1.460548    3.174552    24    65
    67  N     -0.218953   -5.187758   -4.049889    24    68
    68  N     -0.090301   -4.289299   -4.708154    24    67
    69  N     -2.047083    0.813939    0.326492    24    70
    70  N     -2.456445    1.774072   -0.082968    24    69
    71  N      2.609763   -3.470479   -1.836414    24    72
    72  N      3.040257   -2.476102   -2.124478    24    71
    73  N      2.114666   -3.671010    8.236848    24    74
    74  N      2.509834   -3.918648    9.256460    24    73
    75  N      0.020696    4.561691    0.355354    24    76
    76  N      0.156966    3.914103    1.260422    24    75
    77  N     -7.912112    2.355900    3.449327    24    78
    78  N     -7.077779    2.503767    4.183570    24    77
    79  N      4.365198   -4.157278    4.813471    24    80
    80  N      3.939114   -4.887802    4.077349    24    79
    81  N     -5.337452    0.500432   -1.596916    24    82
    82  N     -4.727904    0.850250   -2.470512    24    81
    83  N      0.140396    5.876358    4.362750    24    84
    84  N     -0.889168    6.225089    4.088026    24    83
    85  N     -9.541998    6.701005    0.459971    24    86
    86  N     -8.574432    7.183608    0.756617    24    85
    87  N     -0.370399    1.989000    4.613711    24    88
    88  N     -1.128503    1.886463    3.794044    24    87
    89  N     -3.848902    7.991588   -4.065381    24    90
    90  N     -4.508432    8.884110   -4.225114    24    89
    91  N     -7.902108   -1.888029    4.923158    24    92
    92  N     -7.415655   -1.065126    4.337255    24    91
    93  N      0.089465   -3.589039    5.047263    24    94
    94  N      0.674799   -2.683568    4.739696    24    93
    95  N     -5.289723    4.612943   -6.234277    24    96
    96  N     -4.770941    3.632505   -6.070884    24    95
    97  N      4.953079   -4.849833   -5.282001    24    98
    98  N      5.025584   -4.234484   -4.347562    24    97
    99  N     -3.861917   -0.770100    6.062607    24   100
   100  N     -2.744339   -0.821947    5.988989    24    99
   101  N     -3.281149    4.749155    2.567969    24   102
   102  N     -4.300212    5.150628    2.807592    24   101
   103  N     -7.416663    2.919194   -8.383636    24   104
   104  N     -8.250115    3.407937   -8.952475    24   103
   105  N     -0.546411    2.669494   -5.171530    24   106
   106  N     -1.278934    2.273010   -4.420997    24   105
   107  N      2.495292    0.221303    2.730997    24   108
   108  N      3.390486   -0.280335    3.182744    24   107
   109  N      8.019589    3.546759    1.402573    24   110
   110  N      6.980303    3.701327    1.793828    24   109
   111  N     -5.867608   -7.668828   -9.119242    24   112
   112  N     -6.834451   -7.213342   -8.780369    24   111
   113  N     -4.579077    7.338119    0.018823    24   114
   114  N     -4.433865    8.318466   -0.505508    24   113
   115  N      6.874907   -8.895314    0.827567    24   116
   116  N      5.937557   -8.772717    0.224713    24   115
   117  N      1.883905   -4.152316    1.808112    24   118
   118  N      1.655641   -3.139382    1.385089    24   117
   119  N      8.658973    6.003496    7.521980    24   120
   120  N      8.527668    5.150140    6.806694    24   119
   121  N     -4.981841   -9.510346    3.146070    24   122
   122  N     -4.921357   -8.391737    3.192378    24   121
   123  N     -2.156109   -2.383274    2.814075    24   124
   124  N     -1.655695   -2.686646    1.857706    24   123
   125  N      3.537230   -7.095629   -2.876536    24   126
   126  N      3.379390   -7.876522   -2.087623    24   125
   127  N     -3.688050   -5.326869   -6.445906    24   128
   128  N     -3.469458   -6.370618   -6.099646    24   127
   129  N     -7.461802   -5.588669   -3.180955    24   130
   130  N     -6.447695   -5.800164   -3.609844    24   129
   131  N      0.697156   -0.354742   -6.230464    24   132
   132  N      0.398722   -1.371673   -6.596359    24   131
   133  N     -6.988191    6.804358   -2.589720    24   134
   134  N     -7.733742    6.856073   -3.425523    24   133
   135  N      0.065726   -8.911333   -4.128283    24   136
   136  N     -0.881449   -9.177613   -3.590654    24   135
   137  N      5.649904    3.847414   -5.733963    24   138
   138  N      5.382056    2.998146   -6.415205    24   137
   139  N     -4.463021   -2.640954   -0.992141    24   140
   140  N     -4.606154   -3.717020   -0.711630    24   139
   141  N     -4.198734    7.854945    6.851313    24   142
   142  N     -3.521309    7.681924    5.974816    24   141
   143  N     -7.957909    0.573637    0.452161    24   144
   144  N     -8.796103    0.960973   -0.183835    24   143
   145  N     -7.881834   -8.198101    6.287463    24   146
   146  N     -8.617366   -8.099192    5.447046    24   145
   147  N     -7.170532   -4.015854   -6.418332    24   148
   148  N     -7.431121   -3.247645   -7.192307    24   147
   149  N      6.807282    1.751957    5.822682    24   150
   150  N      7.646074    1.790848    5.079712    24   149
   151  N      5.326211    4.804351    8.152647    24   152
   152  N      5.126440    5.104905    9.214177    24   151
   153  N      5.300686   -6.452384    8.449830    24   154
   154  N      5.678035   -6.000828    9.404186    24   153
   155  N     -3.365593    3.150885    6.024412    24   156
   156  N     -3.792153    4.180996    5.906043    24   155
   157  N      6.398617   -8.613049    5.627555    24   158
   158  N      5.827180   -7.670932    5.420281    24   157
   159  N      2.627226   -7.557082   -7.203006    24   160
   160  N      2.330641   -6.591729   -6.715952    24   159
   161  N     -0.710858   -6.221824   -8.273414    24   162
   162  N     -0.261528   -6.189012   -9.300115    24   161
   163  N      1.639223   -7.349359    6.495048    24   164
   164  N      2.130092   -8.211207    5.972214    24   163
   165  N     -3.708058   -7.328168   -2.177812    24   166
   166  N     -2.958946   -6.494517   -2.208554    24   165
   167  N      4.498471   -1.095866    6.674644    24   168
   168  N      5.493130   -1.155400    6.160644    24   167
   169  N     -4.616814   -3.783494    7.623973    24   170
   170  N     -4.892237   -4.818428    7.955851    24   169
   171  N      3.631727   -0.020377   -4.903761    24   172
   172  N      3.272757    0.679361   -4.104640    24   171
   173  N      2.929065    2.217740    5.541444    24   174
   174  N      3.256678    3.164583    5.038210    24   173
   175  N      8.650471    0.050961   -5.815823    24   176
   176  N      7.541509    0.187295   -5.722519    24   175
   177  N      0.826601    0.232561   -1.639873    24   178
   178  N      1.296860    0.804121   -0.797694    24   177
   179  N      8.229634   -8.307375   -9.367430    24   180
   180  N      8.701044   -9.123405   -8.760013    24   179
   181  N      0.265340   -6.039415   -0.493452    24   182
   182  N     -0.158556   -6.843029   -1.150421    24   181
   183  N     -7.310589    6.661040    4.577512    24   184
   184  N     -7.660501    5.891621    3.840866    24   183
   185  N     -6.278442    7.232516   -8.394658    24   186
   186  N     -7.171898    7.151176   -7.722192    24   185
   187  N      2.441051    2.415083   -7.685044    24   188
   188  N      2.248890    3.506574   -7.515306    24   187
   189  N      6.912808    1.624447   -8.669552    24   190
   190  N      6.061161    1.113866   -9.190220    24   189
   191  N     -0.780193    5.981243   -5.598074    24   192
   192  N      0.248814    6.311319   -5.299267    24   191
   193  N      7.745049   -7.808016   -2.185044    24   194
   194  N      7.170143   -8.431566   -2.918364    24   193
   195  N      3.424391    7.206355    4.887280    24   196
   196  N      3.551141    6.639860    5.846501    24   195
   197  N      8.076648   -5.482181    4.211087    24   198
   198  N      7.719593   -5.138975    3.205198    24   197
   199  N      5.150797   -5.035389   -0.454751    24   200
   200  N      4.955677   -4.818599    0.627847    24   199
   201  N     -6.514975   -0.562405    8.594109    24   202
   202  N     -7.521815   -0.323656    8.162412    24   201
   203  N      2.039826    7.236878   -1.666091    24   204
   204  N      1.420973    7.719147   -0.865137    24   203
   205  N      7.781180   -2.830393   -7.366167    24   206
   206  N      7.271968   -3.820009   -7.502013    24   205
   207  N     -7.583446    2.932988   -3.278875    24   208
   208  N     -8.053027    3.638781   -4.012659    24   207
   209  N     -1.001647   -2.554943   -1.435447    24   210
   210  N     -1.639824   -1.953327   -2.133929    24   209
   211  N     -4.894148   -4.669587    2.518217    24   212
   212  N     -5.300140   -4.637599    3.562840    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.237856    2.604852   -0.102214    24     2
     2  N     -5.788754    2.910632   -1.029628    24     1
     3  N      6.666784    2.028645   -3.563447    24     4
     4  N      7.315311    2.471161   -2.763021    24     3
     5  N     -4.217541   -2.374296   -5.272096    24     6
     6  N     -5.235269   -2.803774   -5.464107    24     5
     7  N      6.639093    5.932172    3.508056    24     8
     8  N      6.176573    5.694723    2.514687    24     7
     9  N      1.337589    3.060798    5.841100    24    10
    10  N      1.752226    2.158704    6.362054    24     9
    11  N     -2.815601   -7.268223    7.862470    24    12
    12  N     -2.936142   -7.370243    6.752448    24    11
    13  N      6.003550   -1.514771   -1.165865    24    14
    14  N      6.943641   -1.332523   -1.749049    24    13
    15  N     -2.905334    8.934434   -7.338593    24    16
    16  N     -2.016109    8.284054   -7.546856    24    15
    17  N     -7.597560   -8.312114   -4.939663    24    18
    18  N     -7.987811   -8.415714   -5.985636    24    17
    19  N      5.415579    7.990024   -8.817060    24    20
    20  N      5.235510    9.074406   -8.596196    24    19
    21  N     -2.114652    5.311135   -0.862998    24    22
    22  N     -1.797189    4.238674   -0.941311    24    21
    23  N      4.857114    7.899887   -5.169939    24    24
    24  N      4.455298    7.833423   -4.125326    24    23
    25  N     -3.620883    1.122838   -7.849605    24    26
    26  N     -3.619216    1.774594   -6.937300    24    25
    27  N     -2.160389   -3.859528    8.931905    24    28
    28  N     -3.180141   -3.430908    9.114882    24    27
    29  N      4.213457    2.492942   -0.604458    24    30
    30  N      4.524749    1.426101   -0.752907    24    29
    31  N      2.797802    4.511445   -2.796896    24    32
    32  N      2.072728    4.944670   -2.059553    24    31
    33  N      2.792232   -7.337351    2.260163    24    34
    34  N      2.049465   -8.137006    2.516948    24    33
    35  N     -4.922554   -0.033471    3.186069    24    36
    36  N     -5.412354    0.398765    2.274830    24    35
    37  N     -8.300674   -4.282317   -0.262981    24    38
    38  N     -9.120766   -5.002578   -0.519427    24    37
    39  N      1.288893    7.645693    8.462669    24    40
    40  N      0.283924    7.650000    7.965569    24    39
    41  N     -6.211493   -6.819543    0.326535    24    42
    42  N     -6.735027   -7.723023   -0.081786    24    41
    43  N     -8.220763   -0.019886   -3.315164    24    44
    44  N     -8.403191   -0.977415   -3.869193    24    43
    45  N      3.694457   -0.728447   -7.449798    24    46
    46  N      2.825736   -0.021000   -7.405831    24    45
    47  N      7.063943   -7.637234   -5.699224    24    48
    48  N      7.023608   -6.703966   -6.319283    24    47
    49  N      8.502445   -5.343984    8.184667    24    50
    50  N      8.965935   -6.251456    7.716949    24    49
    51  N     -0.619462    7.391969    1.279728    24    52
    52  N     -0.501576    8.194912    0.506117    24    51
    53  N      6.567159    5.518531   -1.286124    24    54
    54  N      7.104456    6.501886   -1.248516    24    53
    55  N     -0.879714   -0.199876    9.349825    24    56
    56  N     -0.991700    0.491189    8.474053    24    55
    57  N      7.681212    6.192225   -4.439965    24    58
    58  N      8.786974    6.030652   -4.530919    24    57
    59  N     -7.453513   -0.580952   -7.337861    24    60
    60  N     -7.509413   -1.435045   -8.062079    24    59
    61  N      3.216072    6.014031    0.493047    24    62
    62  N      2.992381    6.583585    1.432548    24    61
    63  N     -1.822427    3.965324   -9.123206    24    64
    64  N     -1.752718    5.031674   -8.783901    24    63
    65  N      6.195366   -0.203207    2.802082    24    66
    66  N      6.393897   -0.263429    1.700244    24    65
    67  N      0.137323   -4.292879   -5.317247    24    68
    68  N     -0.944475   -4.578666   -5.388872    24    67
    69  N     -2.275554    0.383519    0.161480    24    70
    70  N     -1.679169    1.127664    0.751109    24    69
    71  N      1.894638   -3.081378   -2.051847    24    72
    72  N      2.692510   -3.560499   -2.677094    24    71
    73  N      1.744704   -2.207265    8.703887    24    74
    74  N      1.892871   -3.249638    8.318404    24    73
    75  N      0.256959    4.076793    1.619943    24    76
    76  N      0.901741    3.802208    2.495128    24    75
    77  N     -7.941838    2.341032    3.460946    24    78
    78  N     -7.479269    1.952999    4.405694    24    77
    79  N      4.700510   -4.046551    5.018997    24    80
    80  N      3.632505   -3.795708    5.250361    24    79
    81  N     -3.866415    0.151662   -3.073692    24    82
    82  N     -4.175907    1.229287   -3.068243    24    81
    83  N     -0.810698    6.348224    4.496797    24    84
    84  N     -1.835695    6.392614    4.949013    24    83
    85  N     -8.371093    6.547522    1.010439    24    86
    86  N     -8.861696    7.343976    1.628547    24    85
    87  N     -1.449363    1.247760    4.575377    24    88
    88  N     -1.801382    0.683047    3.673008    24    87
    89  N     -3.522497    8.528042   -2.134282    24    90
    90  N     -3.597823    8.257488   -3.219739    24    89
    91  N     -8.901563   -2.389675    4.603616    24    92
    92  N     -8.257416   -1.884054    3.837776    24    91
    93  N      0.221387   -1.533881    5.808595    24    94
    94  N     -0.352892   -2.133487    5.055093    24    93
    95  N     -2.821000    4.642744   -5.047553    24    96
    96  N     -2.863718    5.308647   -4.146532    24    95
    97  N      4.820153   -4.065800   -5.688398    24    98
    98  N      5.457690   -3.560010   -4.917157    24    97
    99  N     -4.944026   -0.862500    6.513793    24   100
   100  N     -3.847243   -1.088640    6.568720    24    99
   101  N     -3.433553    4.071794    2.140545    24   102
   102  N     -3.885003    3.377983    2.896791    24   101
   103  N     -6.144311    3.557005   -8.744561    24   104
   104  N     -7.231394    3.600837   -8.473603    24   103
   105  N     -0.991542    2.122380   -3.593167    24   106
   106  N      0.038492    2.456509   -3.883818    24   105
   107  N      1.339925   -0.242865    2.987040    24   108
   108  N      1.901314    0.714573    2.828155    24   107
   109  N      8.671779    3.650363    1.181150    24   110
   110  N      8.043627    2.722236    1.214185    24   109
   111  N     -6.446123   -7.248872   -8.771336    24   112
   112  N     -6.453043   -8.366027   -8.866230    24   111
   113  N     -4.300097    7.977348    0.725851    24   114
   114  N     -4.947716    7.079413    0.548670    24   113
   115  N      7.398546   -8.332371    1.078288    24   116
   116  N      6.382945   -8.355184    1.552761    24   115
   117  N      3.068669   -2.588086    1.537527    24   118
   118  N      2.159483   -3.218408    1.355416    24   117
   119  N      9.277038    7.113122    5.405649    24   120
   120  N      8.924797    6.389703    6.186470    24   119
   121  N     -2.248401   -8.547628    3.662420    24   122
   122  N     -2.332488   -7.524633    3.211309    24   121
   123  N     -1.228548   -3.109018    1.761799    24   124
   124  N     -2.330313   -2.902735    1.787303    24   123
   125  N      4.750818   -6.875994   -3.127063    24   126
   126  N      4.437052   -6.285895   -2.226827    24   125
   127  N     -4.096107   -6.324106   -6.538373    24   128
   128  N     -3.845893   -6.715235   -5.517834    24   127
   129  N     -6.169098   -5.560873   -3.817156    24   130
   130  N     -6.626301   -5.755121   -2.812008    24   129
   131  N     -0.714852   -1.041402   -5.915229    24   132
   132  N     -1.452670   -0.298081   -5.514994    24   131
   133  N     -6.294955    6.205440   -2.517599    24   134
   134  N     -6.677219    7.174564   -2.932040    24   133
   135  N     -1.033105   -8.057616   -3.962262    24   136
   136  N     -0.390514   -8.232506   -4.864249    24   135
   137  N      4.741800    4.145625   -6.002325    24   138
   138  N      5.201298    3.364185   -6.662101    24   137
   139  N     -6.069023   -1.976202   -1.422028    24   140
   140  N     -5.356363   -2.825972   -1.586644    24   139
   141  N     -4.157759    7.155293    8.094100    24   142
   142  N     -4.192696    8.106509    7.501601    24   141
   143  N     -8.823636   -1.022682    0.639563    24   144
   144  N     -8.264601   -0.070729    0.835408    24   143
   145  N     -6.486413   -7.728105    4.568966    24   146
   146  N     -5.848420   -8.610052    4.300220    24   145
   147  N     -8.639529   -4.940385   -7.157068    24   148
   148  N     -9.240201   -4.021673   -6.928488    24   147
   149  N      8.078197    2.929199    6.351792    24   150
   150  N      7.065627    2.764085    5.899543    24   149
   151  N      3.830771    4.193299    8.569290    24   152
   152  N      4.325360    4.812630    7.776259    24   151
   153  N      5.245914   -5.639439    8.002131    24   154
   154  N      4.882591   -5.566667    9.060333    24   153
   155  N     -3.486108    4.256787    6.589180    24   156
   156  N     -4.531611    4.300725    6.186584    24   155
   157  N      6.276794   -7.653526    5.875747    24   158
   158  N      6.966910   -7.481589    5.008991    24   157
   159  N      2.607267   -7.407110   -5.525627    24   160
   160  N      2.664389   -6.865345   -6.505585    24   159
   161  N     -0.368554   -6.512083   -8.119780    24   162
   162  N      0.172087   -6.605345   -9.097583    24   161
   163  N      1.853892   -6.989952    5.811457    24   164
   164  N      0.900661   -7.526973    5.566410    24   163
   165  N     -3.020539   -7.038431   -0.426723    24   166
   166  N     -3.353435   -6.175607   -1.060602    24   165
   167  N      4.498200    0.160178    6.225987    24   168
   168  N      3.619285   -0.415839    6.616882    24   167
   169  N     -5.033222   -4.339071    5.669761    24   170
   170  N     -4.949894   -4.839924    6.669407    24   169
   171  N      3.351011    0.447457   -4.143163    24   172
   172  N      4.152395   -0.286487   -3.867123    24   171
   173  N      4.148963    2.644514    4.203488    24   174
   174  N      4.968557    2.782796    3.451005    24   173
   175  N      7.619812   -0.062854   -6.072607    24   176
   176  N      6.662574   -0.638228   -5.973958    24   175
   177  N      1.441434    0.006123   -1.232047    24   178
   178  N      1.317931   -0.540371   -0.260872    24   177
   179  N     -9.101331    7.457834   -7.862383    24   180
   180  N     -9.143547    8.309254   -8.590663    24   179
   181  N      0.179126   -6.401700    0.313821    24   182
   182  N      0.208988   -6.573966   -0.793664    24   181
   183  N     -6.008380    6.256023    3.917514    24   184
   184  N     -6.646333    5.366958    3.673243    24   183
   185  N     -5.469110    6.551185   -6.440074    24   186
   186  N     -6.130957    7.437788   -6.621684    24   185
   187  N      0.311515    2.372609   -7.129344    24   188
   188  N      1.003502    3.253227   -7.181830    24   187
   189  N      6.881474    1.293609   -8.988023    24   190
   190  N      5.762038    1.243748   -9.026334    24   189
   191  N      0.129250    5.950681   -4.895796    24   192
   192  N      1.103571    6.080016   -5.435296    24   191
   193  N      8.009811   -7.960624   -2.615935    24   194
   194  N      8.534432   -8.764492   -2.036574    24   193
   195  N      3.324116    7.974372    5.984604    24   196
   196  N      4.031248    7.872448    5.120507    24   195
   197  N      9.350881   -5.789939    3.068959    24   198
   198  N      8.345632   -5.322879    2.900376    24   197
   199  N      4.686676   -5.208652    0.761926    24   200
   200  N      5.729649   -4.893630    0.497243    24   199
   201  N     -8.893294    0.199602    7.071911    24   202
   202  N     -8.118670    0.598292    7.777670    24   201
   203  N      1.624087    8.375172   -2.814405    24   204
   204  N      1.545290    9.329400   -2.231027    24   203
   205  N      6.550949   -1.989848    8.072579    24   206
   206  N      6.210342   -2.405202    9.056732    24   205
   207  N     -6.571769    3.449256   -5.057306    24   208
   208  N     -7.630198    3.527305   -4.695744    24   207
   209  N     -1.932842   -3.355721   -1.526170    24   210
   210  N     -1.549886   -3.252129   -2.574837    24   209
   211  N     -5.975657   -3.492311    2.072326    24   212
   212  N     -5.929718   -4.585168    2.318582    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -4.923113    3.281963    0.639864    24     2
     2  N     -4.966632    3.078160   -0.461798    24     1
     3  N      7.606572    1.942159   -4.801841    24     4
     4  N      6.938052    1.458600   -4.042670    24     3
     5  N     -5.676302   -3.630559   -6.362985    24     6
     6  N     -4.892081   -2.971357   -5.907420    24     5
     7  N      7.556778    8.010140    3.406073    24     8
     8  N      7.248438    6.934353    3.337536    24     7
     9  N     -0.720313    3.031145    5.323554    24    10
    10  N      0.099989    3.660140    5.757790    24     9
    11  N     -2.740182   -7.864956    8.047365    24    12
    12  N     -1.793625   -8.095632    7.492472    24    11
    13  N      6.227174   -1.816227   -2.800619    24    14
    14  N      6.288055   -1.355003   -1.780494    24    13
    15  N     -2.850629    8.472164   -7.675996    24    16
    16  N     -1.732046    8.436205   -7.608413    24    15
    17  N     -6.480229   -8.395077   -5.618299    24    18
    18  N     -6.840781   -7.339122   -5.728078    24    17
    19  N      4.192633    8.381840    8.035640    24    20
    20  N      4.261050    7.863852    7.043624    24    19
    21  N     -1.528388    5.861717   -1.774580    24    22
    22  N     -2.305729    5.517496   -1.043593    24    21
    23  N      5.023817    8.025981   -2.864031    24    24
    24  N      5.502493    7.481622   -3.719386    24    23
    25  N     -4.631026    0.361750   -7.006597    24    26
    26  N     -4.271676    1.328434   -6.566736    24    25
    27  N     -2.003248   -3.082893   -8.067304    24    28
    28  N     -2.516048   -3.735130   -8.821434    24    27
    29  N      3.045254    2.704052   -0.000836    24    30
    30  N      3.599856    2.199810   -0.834649    24    29
    31  N      2.839054    4.866536   -4.296069    24    32
    32  N      3.544628    4.726187   -3.436095    24    31
    33  N      3.148348   -7.565829    2.170309    24    34
    34  N      2.640093   -8.561581    2.255431    24    33
    35  N     -6.570170   -0.834571    3.296547    24    36
    36  N     -6.029473   -0.533227    2.361706    24    35
    37  N     -8.763469   -4.620229   -1.022368    24    38
    38  N     -8.518895   -3.529827   -0.931283    24    37
    39  N      0.208309    6.294770    7.769943    24    40
    40  N      0.882304    5.624353    8.364386    24    39
    41  N     -7.410183   -8.831467    0.291532    24    42
    42  N     -6.943776   -7.880169   -0.075327    24    41
    43  N     -7.565063   -1.489485   -4.020437    24    44
    44  N     -8.546280   -1.002989   -3.780385    24    43
    45  N      2.383656   -0.998326   -7.461786    24    46
    46  N      3.369655   -0.480156   -7.589831    24    45
    47  N      7.482290   -7.940534   -5.097561    24    48
    48  N      7.134442   -7.092744   -5.743581    24    47
    49  N      8.246847   -6.610253    8.229044    24    50
    50  N      8.379547   -6.751024    9.333427    24    49
    51  N      0.005622    7.434193    1.449890    24    52
    52  N     -0.034656    8.176645    0.610704    24    51
    53  N      6.722757    5.082534   -1.413733    24    54
    54  N      7.701417    4.674021   -1.777645    24    53
    55  N     -0.518844    0.314540    8.614837    24    56
    56  N     -0.108963   -0.538423    9.216121    24    55
    57  N      8.391614    5.213949   -5.531346    24    58
    58  N      8.551941    6.244624   -5.942556    24    57
    59  N     -8.385992   -0.579650   -9.450485    24    60
    60  N     -8.163420   -0.487673   -8.355454    24    59
    61  N      4.224815    6.686789    1.656940    24    62
    62  N      3.673616    6.012999    0.950344    24    61
    63  N     -2.361702    3.844568   -8.547594    24    64
    64  N     -1.551009    3.116088   -8.284567    24    63
    65  N      5.091291   -0.601536    2.619449    24    66
    66  N      4.333144   -0.411964    1.815480    24    65
    67  N      0.435651   -2.898922   -5.060065    24    68
    68  N      0.569306   -3.953738   -5.415861    24    67
    69  N     -1.772251    0.409359    0.505986    24    70
    70  N     -2.615882    1.002306    0.946202    24    69
    71  N      2.531440   -4.204727   -2.436540    24    72
    72  N      3.149607   -3.348947   -2.058914    24    71
    73  N      1.299645   -3.509448    8.256569    24    74
    74  N      1.887605   -3.000137    7.449106    24    73
    75  N     -0.365687    3.371528    1.871322    24    76
    76  N      0.631994    3.817092    2.122704    24    75
    77  N     -7.394004    2.193050    2.766463    24    78
    78  N     -7.421399    3.292213    2.985963    24    77
    79  N      5.189969   -3.760231    4.924406    24    80
    80  N      4.770364   -4.389540    5.752047    24    79
    81  N     -3.180377    1.996514   -2.563057    24    82
    82  N     -4.080465    2.072113   -3.227299    24    81
    83  N     -2.835683    7.790045    3.881400    24    84
    84  N     -2.147236    7.688533    4.760504    24    83
    85  N     -8.276550    5.868922    0.253697    24    86
    86  N     -8.261569    6.033163    1.362701    24    85
    87  N     -2.429507   -0.444326    5.753219    24    88
    88  N     -2.898048   -0.262171    4.751032    24    87
    89  N     -3.651231    9.123589   -2.877711    24    90
    90  N     -3.683145    8.403731   -3.736708    24    89
    91  N      8.200635   -3.002791    3.785972    24    92
    92  N      8.381424   -2.223396    3.000512    24    91
    93  N     -2.518070   -3.794458    6.081672    24    94
    94  N     -2.921079   -4.822740    5.888513    24    93
    95  N     -2.550425    5.398849   -5.202467    24    96
    96  N     -3.100820    4.973964   -4.322905    24    95
    97  N      4.245552   -3.315911   -5.853916    24    98
    98  N      4.256331   -4.383000   -5.509977    24    97
    99  N     -6.079464   -1.267545    6.757372    24   100
   100  N     -5.225226   -1.991818    6.810255    24    99
   101  N     -3.185596    4.642712    3.717072    24   102
   102  N     -3.704582    3.649237    3.744444    24   101
   103  N     -8.081881    3.044224   -8.488313    24   104
   104  N     -7.666221    3.876990   -7.863159    24   103
   105  N     -0.031610    3.092655   -2.792036    24   106
   106  N      0.638453    2.210747   -2.617840    24   105
   107  N      1.422327    0.055351    5.127785    24   108
   108  N      0.712591    0.407113    4.334295    24   107
   109  N      7.488213    2.124749    1.682325    24   110
   110  N      6.523557    2.313378    1.142931    24   109
   111  N     -5.829107   -7.911107    9.363920    24   112
   112  N     -6.487970   -7.302790    8.690912    24   111
   113  N     -3.617625    8.379994    0.517251    24   114
   114  N     -4.532818    7.901517    0.953796    24   113
   115  N      7.093567   -8.297526   -0.255493    24   116
   116  N      7.217684   -9.194699    0.405389    24   115
   117  N      2.451501   -3.753662    1.314861    24   118
   118  N      2.729688   -4.004108    2.371733    24   117
   119  N     -7.716638   -8.437270    5.707721    24   120
   120  N     -8.618500   -9.028697    6.014234    24   119
   121  N     -0.500330   -6.666592    3.169613    24   122
   122  N     -1.304192   -5.890841    3.074181    24   121
   123  N     -2.499888   -2.454697    2.269780    24   124
   124  N     -1.389435   -2.309141    2.322680    24   123
   125  N      5.929397   -5.726157   -2.306637    24   126
   126  N      6.379222   -5.263988   -3.223778    24   125
   127  N     -3.068199   -5.966573   -6.449845    24   128
   128  N     -3.458876   -6.926687   -6.022478    24   127
   129  N     -4.568408   -5.393745   -3.084064    24   130
   130  N     -5.629020   -5.611203   -2.792680    24   129
   131  N     -1.273097    0.201670   -4.682407    24   132
   132  N     -1.020415    0.486136   -5.737073    24   131
   133  N     -5.674930    6.567765   -2.051640    24   134
   134  N     -5.901214    5.503283   -2.321382    24   133
   135  N     -0.142846   -7.130665   -4.118467    24   136
   136  N      0.275929   -7.939131   -4.772760    24   135
   137  N      4.821458    6.126837   -6.910226    24   138
   138  N      5.580873    6.624594   -7.567962    24   137
   139  N     -4.493259   -0.943611   -1.012389    24   140
   140  N     -4.847920   -1.872822   -0.494824    24   139
   141  N     -4.900319    6.125706    8.244325    24   142
   142  N     -4.863557    7.217749    7.992968    24   141
   143  N     -8.120929   -0.299747   -0.202491    24   144
   144  N     -9.197464   -0.284711    0.110455    24   143
   145  N     -5.173180   -7.988222    3.376948    24   146
   146  N     -4.530134   -7.523099    4.168935    24   145
   147  N     -8.600616   -5.100787   -4.454304    24   148
   148  N     -8.606502   -4.560780   -5.436876    24   147
   149  N      7.857468    5.285634    6.579917    24   150
   150  N      7.706688    4.304518    6.058605    24   149
   151  N      3.730275    4.251178    7.489526    24   152
   152  N      4.535681    4.515123    8.223516    24   151
   153  N      4.112507   -6.204197   -9.112346    24   154
   154  N      5.147348   -5.776195   -9.057492    24   153
   155  N     -4.286398    1.630877    8.286802    24   156
   156  N     -4.770344    1.563479    7.277670    24   155
   157  N      6.014618   -7.810737    4.559749    24   158
   158  N      6.438546   -7.758226    5.596386    24   157
   159  N      3.718655   -7.482720   -6.137087    24   160
   160  N      3.904374   -7.778482   -5.071665    24   159
   161  N      0.066030   -6.936220   -7.955085    24   162
   162  N      0.849999   -7.002038   -8.753929    24   161
   163  N      2.075746   -7.661878    5.464963    24   164
   164  N      1.886674   -6.843816    6.208007    24   163
   165  N     -3.805481   -6.474449    1.139813    24   166
   166  N     -3.668253   -5.737423    0.306116    24   165
   167  N      4.515122    0.446742    7.216741    24   168
   168  N      3.562307    0.106256    7.699753    24   167
   169  N     -8.149221   -4.938789    6.055254    24   170
   170  N     -8.101568   -3.819781    6.106619    24   169
   171  N      2.540629   -0.187081   -4.041072    24   172
   172  N      3.562607   -0.362789   -3.614720    24   171
   173  N      4.568677    3.205761    3.962236    24   174
   174  N      4.909573    4.272065    3.900003    24   173
   175  N      6.963631   -1.715650   -6.873919    24   176
   176  N      7.135615   -0.623078   -7.057761    24   175
   177  N      1.079771   -0.829825   -1.152345    24   178
   178  N      1.391198   -0.950422   -0.082037    24   177
   179  N      9.417853    7.684528    9.179912    24   180
   180  N      8.560305    8.393273    9.040694    24   179
   181  N     -0.136340   -6.189027   -0.199171    24   182
   182  N     -0.361249   -7.145274   -0.739633    24   181
   183  N     -7.258247    6.605637    4.945088    24   184
   184  N     -6.487761    6.932534    4.199045    24   183
   185  N     -6.542608    6.286160   -6.388042    24   186
   186  N     -5.780863    6.632391   -7.134339    24   185
   187  N      2.354686    3.573010   -7.429865    24   188
   188  N      1.640030    2.832704   -6.984554    24   187
   189  N      6.118655    2.564348   -7.763828    24   190
   190  N      6.948921    2.353430   -8.487197    24   189
   191  N      0.829879    7.300369   -6.317776    24   192
   192  N      1.785330    7.482870   -6.875358    24   191
   193  N     -9.147091    8.050695   -3.165609    24   194
   194  N     -8.762070    8.655942   -2.303911    24   193
   195  N      1.316218    7.356634    4.557893    24   196
   196  N      1.539165    6.263415    4.668595    24   195
   197  N      8.902417   -6.467544    3.490960    24   198
   198  N      8.529251   -6.629608    2.446176    24   197
   199  N      6.120824   -4.459122    1.210715    24   200
   200  N      5.986358   -3.808469    0.307577    24   199
   201  N     -8.083915    1.622492    6.118903    24   202
   202  N     -8.996230    1.240066    5.591150    24   201
   203  N      2.860584   -7.581155   -1.698953    24   204
   204  N      3.591261   -8.133232   -1.052107    24   203
   205  N      7.797805   -2.818990    7.853450    24   206
   206  N      6.782481   -2.344887    7.891297    24   205
   207  N     -7.052520    2.761660   -5.028518    24   208
   208  N     -7.140326    2.358550   -3.985982    24   207
   209  N     -1.722395   -3.335134   -1.311926    24   210
   210  N     -1.249471   -3.278241   -2.326911    24   209
   211  N     -6.489025   -4.646203    1.656715    24   212
   212  N     -5.920584   -3.911460    2.284502    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -3.700973    3.147040    0.753936    24     2
     2  N     -4.339735    2.360285    0.274260    24     1
     3  N      7.204656    1.449094   -4.061240    24     4
     4  N      6.656300    1.499722   -5.037884    24     3
     5  N     -5.909643   -3.287549   -7.010661    24     6
     6  N     -5.682661   -2.339996   -7.565379    24     5
     7  N      6.087391    7.620990    4.114872    24     8
     8  N      5.594165    7.617455    3.107993    24     7
     9  N     -0.282050    4.161308    5.288517    24    10
    10  N     -0.693176    3.847755    6.283379    24     9
    11  N     -1.475778   -7.913749    8.054304    24    12
    12  N     -1.366278   -7.490300    7.021933    24    11
    13  N      6.874980   -3.030648   -2.341444    24    14
    14  N      6.950121   -1.971827   -2.702473    24    13
    15  N     -3.485310    8.596558   -6.933872    24    16
    16  N     -2.829533    7.719770   -6.692442    24    15
    17  N     -6.249102   -7.552329   -6.927097    24    18
    18  N     -6.466889   -7.732935   -5.842182    24    17
    19  N      3.255734    9.428952    8.442560    24    20
    20  N      2.815655    8.815552    9.271511    24    19
    21  N     -1.031152    6.506239   -1.346106    24    22
    22  N     -1.799852    5.706951   -1.180793    24    21
    23  N      6.230277    7.783824   -3.271499    24    24
    24  N      6.904825    7.619011   -2.391209    24    23
    25  N     -5.003444    0.900156   -5.717460    24    26
    26  N     -4.673552    1.918204   -6.051883    24    25
    27  N     -2.203184   -2.855046    9.500476    24    28
    28  N     -2.652912   -2.174900    8.730908    24    27
    29  N      4.192779    1.473112   -0.994362    24    30
    30  N      4.432640    2.458793   -1.471842    24    29
    31  N      3.367390    4.879566   -4.701361    24    32
    32  N      4.262176    4.297775   -4.357896    24    31
    33  N      3.159315   -6.888215    3.040938    24    34
    34  N      2.490472   -7.783117    3.135224    24    33
    35  N     -5.933486   -0.750490    3.033142    24    36
    36  N     -5.894390    0.357344    2.865028    24    35
    37  N     -9.001690   -4.438433   -0.886663    24    38
    38  N     -9.145105   -5.332133   -1.548344    24    37
    39  N     -0.354435    6.380112   -8.806917    24    40
    40  N     -0.259176    7.315818   -9.417220    24    39
    41  N     -6.248374   -8.131682   -0.124228    24    42
    42  N     -6.708425   -8.097290   -1.146118    24    41
    43  N     -7.224319   -1.109116   -3.770912    24    44
    44  N     -8.330500   -1.167955   -3.944093    24    43
    45  N      3.438741   -0.624298   -7.423179    24    46
    46  N      3.091154   -1.204670   -8.317294    24    45
    47  N      8.266606   -8.096131   -6.792357    24    48
    48  N      7.403044   -7.409830   -6.993205    24    47
    49  N     -7.951876   -5.556186   -8.746640    24    50
    50  N     -8.868349   -6.131945   -9.039332    24    49
    51  N      0.431294    7.067586    1.958563    24    52
    52  N      1.309508    7.645846    1.569403    24    51
    53  N      7.155916    4.020602   -2.451608    24    54
    54  N      7.458732    3.798951   -1.395074    24    53
    55  N      0.251260    0.608356    8.363794    24    56
    56  N     -0.635924    0.475662    9.036390    24    55
    57  N      8.609717    4.633125   -6.098285    24    58
    58  N      7.981544    5.237046   -5.392759    24    57
    59  N     -8.459807    0.271089   -7.313680    24    60
    60  N     -8.655855   -0.271508   -8.275056    24    59
    61  N      3.521949    5.818160   -0.598399    24    62
    62  N      3.224548    6.206213   -1.607388    24    61
    63  N     -2.443684    4.258770   -9.005169    24    64
    64  N     -2.685152    3.201301   -8.721370    24    63
    65  N      5.171232   -1.012815    1.506061    24    66
    66  N      5.804725   -1.572623    0.769589    24    65
    67  N      0.270699   -3.479554   -4.324692    24    68
    68  N     -0.639913   -3.824106   -4.880715    24    67
    69  N     -1.497950    0.566730    0.660760    24    70
    70  N     -2.026362   -0.192483    1.294375    24    69
    71  N      3.308267   -4.320924   -0.678144    24    72
    72  N      2.358220   -4.164887   -1.252735    24    71
    73  N     -0.191730   -3.260210    5.642067    24    74
    74  N     -0.770861   -2.338215    5.909693    24    73
    75  N     -0.648686    3.991036    1.507946    24    76
    76  N      0.294322    3.574213    1.948496    24    75
    77  N     -7.838686    3.007816    2.643895    24    78
    78  N     -7.290961    3.944509    2.361595    24    77
    79  N      5.184576   -2.587555    4.942457    24    80
    80  N      4.064208   -2.569842    4.981847    24    79
    81  N     -3.239794    0.440492   -2.259434    24    82
    82  N     -3.373394    1.394751   -2.832699    24    81
    83  N     -1.653195    7.286452    4.702010    24    84
    84  N     -2.224409    7.599047    5.614746    24    83
    85  N      8.998291    6.230448    0.523993    24    86
    86  N      8.095619    6.225354    1.189008    24    85
    87  N     -3.059530    0.417595    4.754815    24    88
    88  N     -2.458864    1.188934    5.303747    24    87
    89  N     -3.551925   -9.180594   -3.010328    24    90
    90  N     -3.183161   -8.181642   -3.361322    24    89
    91  N      8.600148   -1.722658    3.075122    24    92
    92  N      9.107290   -0.797815    2.694913    24    91
    93  N     -3.256103   -4.988706    5.976424    24    94
    94  N     -4.168453   -4.906329    5.329957    24    93
    95  N     -1.069473    4.516588   -4.978284    24    96
    96  N     -0.721687    3.986794   -5.903191    24    95
    97  N      4.425239   -3.894155   -4.250104    24    98
    98  N      3.774285   -4.707045   -4.665506    24    97
    99  N     -6.233675   -2.250181    7.463892    24   100
   100  N     -6.009967   -3.348810    7.456165    24    99
   101  N     -4.783473    4.090010    4.554873    24   102
   102  N     -5.157440    4.165691    5.609155    24   101
   103  N     -7.551078    3.144827   -8.453739    24   104
   104  N     -7.486874    3.856387   -9.317828    24   103
   105  N      0.162368    2.160061   -2.278737    24   106
   106  N      0.723239    3.078320   -2.593877    24   105
   107  N      0.723468   -0.469287    3.706752    24   108
   108  N      1.225752    0.125147    2.899628    24   107
   109  N      7.042626    2.865787    2.366853    24   110
   110  N      6.577200    1.903831    2.027580    24   109
   111  N     -5.334691   -7.936825    8.119815    24   112
   112  N     -5.055326   -6.854294    8.204491    24   111
   113  N     -2.878616    8.470381    1.124165    24   114
   114  N     -3.464648    8.445377    2.079692    24   113
   115  N      8.655320   -8.624444   -0.411751    24   116
   116  N      7.844618   -8.704817    0.358567    24   115
   117  N      0.790896   -3.775082    1.952302    24   118
   118  N     -0.221709   -3.959231    2.397060    24   117
   119  N     -8.476007    8.983675    6.219370    24   120
   120  N     -9.458918    8.867321    6.746093    24   119
   121  N     -1.035785   -7.910527    3.275238    24   122
   122  N     -0.720067   -6.844025    3.416606    24   121
   123  N     -3.495394   -2.802477    2.779665    24   124
   124  N     -3.253209   -3.119985    1.731989    24   123
   125  N      6.965712   -6.733646   -3.618625    24   126
   126  N      6.119696   -6.637001   -2.889237    24   125
   127  N     -3.203990   -5.804262   -6.522743    24   128
   128  N     -2.295766   -6.406500   -6.786426    24   127
   129  N     -5.853964   -4.612716   -2.973878    24   130
   130  N     -5.791345   -5.421589   -3.747759    24   129
   131  N     -1.651633   -0.634070   -5.308415    24   132
   132  N     -0.833586   -0.204319   -5.943397    24   131
   133  N     -5.427098    5.910204    0.012460    24   134
   134  N     -6.146720    5.587617   -0.784515    24   133
   135  N      1.042867   -7.409756   -4.286589    24   136
   136  N      0.416853   -6.880064   -3.521983    24   135
   137  N      5.296760    6.648662   -8.513708    24   138
   138  N      5.861166    6.341029   -7.595068    24   137
   139  N     -5.185294   -1.405965   -0.027087    24   140
   140  N     -5.850201   -2.064375   -0.644732    24   139
   141  N     -4.490652    7.194344    8.396108    24   142
   142  N     -5.078029    6.242000    8.467656    24   141
   143  N     -8.425430    1.046635   -0.057323    24   144
   144  N     -8.645607    0.443923   -0.976752    24   143
   145  N     -5.244629   -7.603444    3.952878    24   146
   146  N     -4.837904   -8.077115    4.884168    24   145
   147  N     -8.691946   -4.275385   -4.572020    24   148
   148  N     -8.837512   -5.237639   -5.128767    24   147
   149  N     -8.562895    5.089836    5.129760    24   150
   150  N     -9.005261    4.546281    6.004946    24   149
   151  N      4.986672    5.020292    6.775629    24   152
   152  N      4.703434    6.070313    6.503015    24   151
   153  N      3.396431   -4.438539   -8.190477    24   154
   154  N      4.273023   -4.990785   -7.761874    24   153
   155  N     -5.371661    0.939657    7.053184    24   156
   156  N     -5.642598    1.216617    8.105314    24   155
   157  N      5.901656   -7.573376    5.850821    24   158
   158  N      4.999700   -8.205567    5.641298    24   157
   159  N      4.407297   -8.031072   -5.080930    24   160
   160  N      4.204521   -8.361172   -6.133074    24   159
   161  N      0.850355   -6.291204   -7.362806    24   162
   162  N      0.889930   -7.092684   -8.145847    24   161
   163  N      2.645511   -5.752921    6.458951    24   164
   164  N      1.606373   -6.073241    6.732225    24   163
   165  N     -3.524797   -6.317673    0.438553    24   166
   166  N     -3.403636   -5.996565   -0.628825    24   165
   167  N      4.562958    0.972080    6.617524    24   168
   168  N      3.621135    0.648883    6.102158    24   167
   169  N     -7.778552   -5.357334    6.079376    24   170
   170  N     -8.647396   -4.708727    5.793884    24   169
   171  N      3.279052    0.445197   -4.303783    24   172
   172  N      3.493401   -0.609281   -3.988793    24   171
   173  N      3.316417    2.859681    2.914557    24   174
   174  N      3.122105    2.946723    4.015354    24   173
   175  N      7.170576   -2.123503   -6.339665    24   176
   176  N      6.408667   -1.413964   -6.755765    24   175
   177  N      1.295666   -1.360216   -0.276676    24   178
   178  N      1.473941   -0.579883   -1.061781    24   177
   179  N     -7.610189    8.038931   -7.841741    24   180
   180  N     -8.552243    7.431056   -7.852311    24   179
   181  N     -0.219540   -6.827324    0.243245    24   182
   182  N     -0.291104   -7.700543   -0.456369    24   181
   183  N     -6.862171    7.722812    2.397791    24   184
   184  N     -6.273974    7.242588    3.222715    24   183
   185  N     -5.044125    5.382538   -6.141737    24   186
   186  N     -6.110030    5.619221   -5.886949    24   185
   187  N      2.510383    4.891952   -8.856243    24   188
   188  N      2.315808    4.055658   -8.135243    24   187
   189  N      6.803171    1.855572   -8.775135    24   190
   190  N      5.792383    2.331877   -8.682766    24   189
   191  N      0.736575    7.559099   -5.214871    24   192
   192  N      1.742932    7.762927   -5.665194    24   191
   193  N     -8.049525    7.964263   -4.638653    24   194
   194  N     -7.921191    8.144371   -3.539480    24   193
   195  N      2.433881    7.944286    5.238030    24   196
   196  N      1.846386    7.421055    6.036883    24   195
   197  N      8.197958   -5.950106    3.284004    24   198
   198  N      8.197856   -6.394643    2.254695    24   197
   199  N      5.678198   -4.647638    1.250926    24   200
   200  N      6.076260   -4.986071    0.258909    24   199
   201  N     -8.556182    0.780967    6.703041    24   202
   202  N     -8.899473    0.676903    5.640773    24   201
   203  N      4.004772   -8.737145   -0.894687    24   204
   204  N      3.211988   -7.972464   -0.685290    24   203
   205  N      6.569660   -3.275100    8.500852    24   206
   206  N      7.419199   -3.846775    8.044166    24   205
   207  N     -7.646297    2.892960   -3.203238    24   208
   208  N     -7.128213    3.228355   -4.139288    24   207
   209  N     -2.258964   -3.104675   -2.031646    24   210
   210  N     -1.421778   -3.261683   -1.302566    24   209
   211  N     -6.942657   -5.718744    1.685977    24   212
   212  N     -6.612389   -4.758322    2.160952    24   211
   212  Liquid Nitrogen (106 N2, 18.2736 Ang, 77.35K, d=0.8081)
    18.273600   18.273600   18.273600   90.000000   90.000000   90.000000
     1  N     -5.440784    1.941645    0.114167    24     2
     2  N     -5.810735    2.593364    0.948125    24     1
     3  N      7.723723    0.531219   -3.571143    24     4
     4  N      7.573355   -0.106272   -4.481134    24     3
     5  N     -5.219493   -2.955580   -7.393800    24     6
     6  N     -5.337174   -2.064058   -6.724150    24     5
     7  N      6.071524    8.150404    2.555341    24     8
     8  N      5.388628    8.512678    1.743244    24     7
     9  N      1.353671    3.625909    5.217561    24    10
    10  N      1.493791    4.316253    6.089846    24     9
    11  N     -1.157222   -8.403883    7.356713    24    12
    12  N     -1.752057   -7.871318    8.143882    24    11
    13  N      6.398266   -3.527829   -3.556190    24    14
    14  N      6.214738   -2.638833   -2.898092    24    13
    15  N     -2.407411    7.909205   -7.870645    24    16
    16  N     -2.726864    8.827408   -7.312127    24    15
    17  N     -6.661085   -6.937932   -5.156226    24    18
    18  N     -6.571799   -7.964243   -4.713729    24    17
    19  N      3.078127   -8.757430    8.302907    24    20
    20  N      3.344559   -9.436654    9.154233    24    19
    21  N     -1.642619    5.092551   -1.269684    24    22
    22  N     -2.680947    5.233934   -0.870969    24    21
    23  N      5.434030    7.533227   -2.785765    24    24
    24  N      4.854935    6.573547   -2.758318    24    23
    25  N     -5.964870    1.227156   -5.906510    24    26
    26  N     -5.184042    1.296604   -6.708116    24    25
    27  N     -1.193777   -2.848222   -9.085584    24    28
    28  N     -2.285104   -2.673816   -8.896701    24    27
    29  N      4.717990    0.453882   -2.203619    24    30
    30  N      4.179454    1.395056   -1.918558    24    29
    31  N      3.394620    3.241310   -4.878563    24    32
    32  N      4.247238    2.603879   -5.230433    24    31
    33  N      2.087825   -7.409943    2.470376    24    34
    34  N      3.088641   -7.216135    2.937171    24    33
    35  N     -5.685358    1.243202    4.836602    24    36
    36  N     -5.230063    0.375840    4.291186    24    35
    37  N     -9.306843   -4.432082   -0.788300    24    38
    38  N     -8.509696   -5.115299   -1.181825    24    37
    39  N      0.494058    6.795708    9.052227    24    40
    40  N      0.726309    6.823863    7.955707    24    39
    41  N     -6.098200   -8.456764   -1.146790    24    42
    42  N     -6.381624   -8.282966   -0.076018    24    41
    43  N     -6.880892   -0.627123   -3.302923    24    44
    44  N     -7.623615   -1.043053   -2.573228    24    43
    45  N      3.078118   -0.951565    8.390009    24    46
    46  N      3.556297   -1.292723    9.345020    24    45
    47  N      8.983542   -7.856847   -7.258687    24    48
    48  N      8.187348   -7.750061   -8.040838    24    47
    49  N     -8.349458   -3.929972   -8.339635    24    50
    50  N     -8.766123   -4.425034   -9.255273    24    49
    51  N      0.559911    8.108202    1.664664    24    52
    52  N      1.382550    7.348040    1.614574    24    51
    53  N      7.320561    4.003212   -2.358109    24    54
    54  N      7.453959    3.532875   -1.349111    24    53
    55  N     -0.820225    1.614390    8.734863    24    56
    56  N      0.249698    1.841874    8.488684    24    55
    57  N      7.944729    3.089921   -6.270658    24    58
    58  N      8.705522    3.764080   -5.797591    24    57
    59  N     -8.516890   -0.686477   -7.233897    24    60
    60  N     -7.973532   -0.375160   -8.163916    24    59
    61  N      2.498199    5.078461   -0.550201    24    62
    62  N      2.539754    3.976899   -0.345442    24    61
    63  N     -1.882287    4.794246    8.051807    24    64
    64  N     -2.762819    4.378096    8.607299    24    63
    65  N      4.239948   -1.743377    0.904911    24    66
    66  N      4.832266   -1.649923    1.852284    24    65
    67  N     -0.497180   -2.903290   -4.750335    24    68
    68  N     -0.359429   -2.060395   -4.023945    24    67
    69  N     -1.066580    1.051494    2.049769    24    70
    70  N     -1.699224    1.266041    1.149313    24    69
    71  N      2.237449   -4.188853   -0.489059    24    72
    72  N      1.663390   -4.451143   -1.415748    24    71
    73  N      0.413034   -1.903563    6.009120    24    74
    74  N      0.456170   -0.922518    6.550212    24    73
    75  N     -0.286400    4.911675    2.064490    24    76
    76  N     -0.925753    4.895913    2.985396    24    75
    77  N     -8.195818    2.263646    3.043572    24    78
    78  N     -8.831508    3.029489    2.527364    24    77
    79  N      4.200110   -4.081546    4.702347    24    80
    80  N      3.609868   -3.129699    4.754214    24    79
    81  N     -3.552927    0.202813   -3.732062    24    82
    82  N     -4.209407    0.929593   -3.186243    24    81
    83  N     -1.811106    6.702099    5.338951    24    84
    84  N     -2.618598    7.379452    5.721360    24    83
    85  N      8.596403    5.451133    0.730452    24    86
    86  N      7.721724    5.633845    1.407682    24    85
    87  N     -1.881338    1.316552    5.216116    24    88
    88  N     -1.979829    2.423795    5.362405    24    87
    89  N     -3.685461   -8.169504   -3.647095    24    90
    90  N     -2.819688   -8.512605   -3.022747    24    89
    91  N      8.885445   -2.752298    2.103615    24    92
    92  N      8.993672   -2.140727    3.037079    24    91
    93  N     -5.097577   -4.308448    7.672079    24    94
    94  N     -4.221551   -4.894407    7.289562    24    93
    95  N      0.240595    3.712178   -7.210372    24    96
    96  N     -0.042286    4.684042   -6.728139    24    95
    97  N      3.787333   -5.018015   -3.849077    24    98
    98  N      3.043882   -4.487285   -4.499227    24    97
    99  N     -7.305500   -2.175031    5.648890    24   100
   100  N     -7.304121   -2.033382    6.761105    24    99
   101  N     -4.536614    4.584886    5.626792    24   102
   102  N     -4.904787    4.543465    4.568576    24   101
   103  N     -6.819023    3.174288    9.145999    24   104
   104  N     -7.926844    3.147861    8.975339    24   103
   105  N     -0.155197    2.971240   -3.679976    24   106
   106  N      0.654175    2.264939   -3.358817    24   105
   107  N      2.688149    0.505966    3.068302    24   108
   108  N      1.753715    0.319173    3.659090    24   107
   109  N      6.409761    1.438442    2.617305    24   110
   110  N      5.906619    2.435921    2.522581    24   109
   111  N     -5.482538   -7.793395   -9.091935    24   112
   112  N     -6.063911   -6.893495   -8.761370    24   111
   113  N     -2.966894    7.811644    1.525747    24   114
   114  N     -3.331542    8.854307    1.333453    24   113
   115  N      8.548750   -8.870151   -0.027349    24   116
   116  N      8.189813   -9.373548   -0.962680    24   115
   117  N      0.483844   -2.549624    2.424609    24   118
   118  N      0.055263   -1.820564    1.688485    24   117
   119  N     -8.793197    8.190557    5.644247    24   120
   120  N     -9.117874    8.934311    6.417878    24   119
   121  N     -1.254586   -6.893989    4.310987    24   122
   122  N     -1.756871   -5.918924    4.543467    24   121
   123  N     -2.801084   -2.418288    3.311505    24   124
   124  N     -2.825792   -2.431899    4.432351    24   123
   125  N      6.855498   -7.595507   -4.075933    24   126
   126  N      6.847040   -7.184740   -3.032721    24   125
   127  N     -2.963460   -5.644086   -6.173409    24   128
   128  N     -2.743872   -4.552027   -6.045831    24   127
   129  N     -5.382726   -5.240137   -2.292594    24   130
   130  N     -4.733729   -4.708870   -3.036669    24   129
   131  N     -1.062498   -0.114393   -7.003920    24   132
   132  N     -1.115601    0.617409   -6.156138    24   131
   133  N     -5.942360    6.443711   -0.876736    24   134
   134  N     -6.272726    5.375227   -0.797443    24   133
   135  N      0.479200   -6.668280   -4.151977    24   136
   136  N     -0.404762   -6.253451   -3.600960    24   135
   137  N      5.064005    5.995433   -8.384044    24   138
   138  N      5.730974    5.559754   -7.595104    24   137
   139  N     -5.432879   -1.935727    0.712690    24   140
   140  N     -6.330927   -1.341577    1.025080    24   139
   141  N     -5.730053    6.577463    8.307545    24   142
   142  N     -5.793007    7.435049    7.588051    24   141
   143  N      8.724973    0.406787    0.336076    24   144
   144  N      8.078373   -0.357385   -0.168938    24   143
   145  N     -5.256268   -8.030162    5.270366    24   146
   146  N     -4.207873   -7.931227    4.885440    24   145
   147  N     -8.113260   -3.448175   -4.943996    24   148
   148  N     -8.660967   -4.378255   -5.247407    24   147
   149  N     -7.638076    4.893865    6.181363    24   150
   150  N     -8.278848    4.690220    5.284129    24   149
   151  N      5.948315    4.350327    5.653709    24   152
   152  N      6.584141    4.558874    6.553331    24   151
   153  N      4.344028   -5.225783   -8.333279    24   154
   154  N      4.781575   -5.884689   -7.538618    24   153
   155  N     -4.203796    1.396836    7.610993    24   156
   156  N     -4.699123    0.704225    8.340397    24   155
   157  N      7.037524   -5.993667    7.594195    24   158
   158  N      6.135398   -6.398501    7.065646    24   157
   159  N      3.233620   -8.073396   -5.448568    24   160
   160  N      3.727876   -9.079755   -5.455291    24   159
   161  N      0.855997   -5.137748   -7.574176    24   162
   162  N      0.895136   -6.257803   -7.606348    24   161
   163  N      0.417519   -4.793204    7.139204    24   164
   164  N      1.493277   -4.513392    7.285974    24   163
   165  N     -3.129113   -6.071416    1.457682    24   166
   166  N     -3.629449   -6.068986    0.454314    24   165
   167  N      5.607778    0.671056    5.937027    24   168
   168  N      4.599593    0.203382    5.788933    24   167
   169  N     -8.382307   -6.023016    5.585650    24   170
   170  N     -7.808244   -5.788354    6.519712    24   169
   171  N      3.049780   -1.429995   -4.875192    24   172
   172  N      4.004226   -0.843566   -4.922322    24   171
   173  N      4.118795    5.422009    2.424530    24   174
   174  N      3.329090    5.137177    3.167715    24   173
   175  N      6.671891   -2.465406   -7.594563    24   176
   176  N      6.323811   -2.617349   -6.539649    24   175
   177  N      1.187797   -0.702753   -1.301141    24   178
   178  N      0.812732    0.266884   -0.881356    24   177
   179  N     -8.901537    6.864341   -7.951198    24   180
   180  N     -8.823559    6.961101   -9.065489    24   179
   181  N     -0.319014   -6.654008    0.210748    24   182
   182  N     -0.511677   -7.723633   -0.064708    24   181
   183  N     -7.404478    7.056072    2.634305    24   184
   184  N     -6.486435    7.157742    3.269876    24   183
   185  N     -4.316231    5.131262   -6.515814    24   186
   186  N     -5.347534    5.527041   -6.707812    24   185
   187  N      3.996438    2.857360    8.436625    24   188
   188  N      3.472304    3.653927    9.026415    24   187
   189  N      7.023258    0.874271    8.820817    24   190
   190  N      7.301108    1.954901    8.710688    24   189
   191  N      0.443906    7.522459   -3.988151    24   192
   192  N     -0.099586    6.579936   -3.717310    24   191
   193  N     -8.422875    7.865006   -3.813843    24   194
   194  N     -8.181276    6.970950   -4.445811    24   193
   195  N      3.662904    7.498935    5.417136    24   196
   196  N      3.022502    8.332407    5.026882    24   195
   197  N      7.656469   -5.706438    3.526926    24   198
   198  N      6.869406   -6.471925    3.754201    24   197
   199  N      5.429156   -6.005711    0.489058    24   200
   200  N      6.091484   -6.905136    0.586241    24   199
   201  N     -8.853721    1.696428    6.222179    24   202
   202  N     -9.041056    0.592642    6.161728    24   201
   203  N      3.225380   -8.559397   -2.274061    24   204
   204  N      2.413093   -8.168262   -1.607508    24   203
   205  N      7.715797   -2.492655    6.934494    24   206
   206  N      7.015916   -3.139870    6.344265    24   205
   207  N     -7.113928    3.145955   -3.506576    24   208
   208  N     -6.364732    3.944708   -3.746968    24   207
   209  N     -2.292816   -1.442035   -0.766623    24   210
   210  N     -2.680820   -2.428460   -1.132012    24   209
   211  N     -5.949412   -5.201804    3.577762    24   212
   212  N     -5.972704   -4.881741    2.503469    24   211
